data_2ec4_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 2ec4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' GLY . 21.5 mt-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.922 0.392 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -35.13 -70.56 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -49.41 -52.12 30.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.9 -44.63 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.94 -44.8 75.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt -46.91 -61.4 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -42.82 -43.16 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -67.86 -55.93 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.4 HG22 ' CD2' ' A' ' 35' ' ' PHE . 18.5 p -51.9 -37.91 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.195 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.08 71.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -66.41 -55.54 15.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 9.2 t80 -47.98 -37.27 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -53.55 -57.32 11.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.796 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -72.9 -50.86 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -39.77 -61.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.59 -61.82 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.81 174.86 35.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -63.99 -45.38 89.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.4 m -58.01 110.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -167.08 152.84 7.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.412 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.8 Cg_endo -69.81 130.28 19.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.7 t -52.3 111.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CD2' HG22 ' A' ' 21' ' ' THR . 81.1 m-85 -87.1 122.7 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -63.98 123.38 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.5 mm -95.18 114.59 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.62 -153.28 24.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -98.93 136.86 38.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.548 HD12 ' CZ3' ' A' ' 94' ' ' TRP . 26.6 tp -43.43 -39.0 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -48.06 -45.04 31.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.61 90.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.99 -20.66 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -91.19 -56.05 3.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.41 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 4.6 pp0? -56.75 -41.92 78.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 5.5 tp10 -69.41 -7.28 36.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.37 -51.52 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 138' ' ' MET . 9.8 m-85 -97.98 -52.03 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 23.4 m-85 -72.93 7.28 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 55' ' ' ARG . 1.5 p -75.55 172.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 53' ' ' ARG . 5.3 mtmp? -52.55 129.2 28.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.13 -22.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' LYS . 20.3 tpt180 -90.85 -40.67 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.401 ' C ' HG11 ' A' ' 50' ' ' VAL . 2.7 m-20 -85.42 17.73 3.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 11.9 mtp180 -54.75 132.26 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 90' ' ' ASN . 8.5 mtmp? -151.51 177.48 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 mt -112.09 158.6 19.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 59' ' ' ALA . 6.1 tp -104.63 151.14 24.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.563 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . . . -141.91 105.12 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.2 mt -77.63 122.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.557 ' CE2' HD12 ' A' ' 78' ' ' LEU . 49.8 t80 -108.28 102.07 11.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.1 mt -78.73 123.9 27.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -106.22 113.07 26.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -121.63 115.7 23.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' GLU . 10.7 t70 -59.25 -54.74 43.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' ASP . 56.8 mt-10 -37.55 -40.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.0 t -61.05 139.54 58.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.1 m -83.58 -25.3 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' ASN . 13.2 mt -76.38 -48.17 20.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 92.1 m -36.47 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 69' ' ' LEU . 74.2 m-20 -72.54 -61.23 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.492 ' CG2' ' N ' ' A' ' 73' ' ' PHE . 19.8 m -67.87 -50.99 54.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.492 ' N ' ' CG2' ' A' ' 72' ' ' VAL . 9.6 t80 -43.94 -32.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 9.2 m -65.87 -53.61 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.439 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 83.4 p -88.76 -1.06 57.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' VAL . 41.6 mm-40 -97.97 -56.29 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.448 ' C ' ' H ' ' A' ' 79' ' ' CYS . 8.2 mmt -98.03 -47.26 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 61' ' ' TYR . 39.5 mt -76.77 17.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.448 ' H ' ' C ' ' A' ' 77' ' ' MET . 22.2 p -102.33 -27.75 12.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.98 148.74 48.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -85.35 -38.84 18.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.5 m -66.52 -38.86 88.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.7 mm -69.04 -49.07 65.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.412 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 35.8 m -66.68 -45.19 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -63.24 -45.95 89.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.531 ' CE2' ' HE2' ' A' ' 164' ' ' MET . 9.8 t80 -69.62 -50.3 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.4 -34.14 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 p -82.64 -45.29 14.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.24 -61.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.501 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 7.4 m-80 -66.76 -54.57 21.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -101.05 175.26 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.6 mm -103.0 106.83 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.1 m -75.1 121.58 22.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 96' ' ' TRP . 34.0 t90 -143.43 127.21 17.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.72 149.85 36.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 77.4 t-105 -143.79 112.95 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.92 106.5 7.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.407 ' HA ' ' CB ' ' A' ' 103' ' ' ASN . 1.9 pt? -112.18 17.34 19.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.5 m -44.83 -68.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -63.63 146.3 54.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 102' ' ' SER . 5.6 p-10 -50.42 -51.57 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 101' ' ' ASP . 1.4 t -37.11 -53.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.407 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 34.9 m120 -71.18 -42.75 68.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -45.51 -60.18 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -56.83 -54.09 50.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 105' ' ' ALA . 58.1 mtt-85 -37.3 -62.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.453 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 63.5 t80 -48.79 -54.54 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.1 mt -48.71 -46.0 40.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.2 m -60.78 -45.87 92.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 25.8 mtm -61.24 -55.84 27.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.453 ' SG ' ' CZ ' ' A' ' 107' ' ' PHE . 1.8 m -58.31 -40.0 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -42.66 -42.55 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -94.44 -61.92 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -41.13 -54.01 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 115' ' ' PHE . 2.1 m-85 -95.32 -60.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.52 179.01 31.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 85.8 p -80.45 -39.56 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 17.7 m -63.39 -21.98 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.5 t -80.94 -58.46 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.32 -54.92 21.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -43.1 -50.2 6.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.5 m -47.05 -52.5 14.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.8 mm -48.76 -40.54 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -59.33 -44.06 92.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.5 p -69.97 -41.73 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.479 ' OE1' ' NE2' ' A' ' 130' ' ' GLN . 15.8 mm-40 -52.31 114.86 1.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 176.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 21.2 m -82.82 -42.66 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.22 -46.41 72.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.479 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 14.0 mt-30 -39.36 -40.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.51 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 50.0 m-85 -52.11 156.62 2.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.6 Cg_endo -69.79 152.52 92.46 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.315 -0.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.82 103.02 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 59' ' ' ALA . 8.1 t80 -91.57 114.73 27.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.41 154.0 26.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 67.7 mt -126.28 128.61 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.6 mp -112.26 143.81 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.475 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 20.6 ttt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -129.68 145.09 51.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.9 152.12 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 138' ' ' MET . 46.9 mt -108.05 -37.47 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -137.97 143.17 40.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 97.0 t -131.84 103.8 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 25.7 mt -91.17 135.64 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.163 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -61.06 -66.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 159.32 -27.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.04 16.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.5 t -70.34 173.26 7.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 158' ' ' GLU . 61.4 p -101.48 129.8 47.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 157' ' ' ASP . 1.0 OUTLIER -35.88 -35.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.439 ' N ' HG11 ' A' ' 156' ' ' VAL . 3.3 m-20 -62.83 -46.45 87.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 155' ' ' THR . 13.7 mt-10 -54.88 -38.75 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.06 -42.29 85.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.454 ' CE ' ' HA ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -55.52 -57.9 9.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 20.0 ptt? -63.18 -42.7 99.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 161' ' ' MET . 14.5 mmt85 -56.81 -41.96 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.76 -59.4 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' MET . . . . . 0.531 ' HE2' ' CE2' ' A' ' 86' ' ' TYR . 26.2 mtt -50.36 -45.27 55.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -57.16 -51.19 70.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -46.57 -32.41 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 7.5 mtp -71.08 -61.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 16.9 pt-20 -54.99 -36.56 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.43 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 74.7 mt -67.04 -49.39 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.41 -57.79 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.899 0.381 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.71 -48.87 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -58.82 -50.95 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.818 0.342 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.62 -62.63 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 18' ' ' LEU . 79.3 mt -54.53 -52.8 60.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 17' ' ' LEU . 15.1 mt -32.98 -45.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -66.01 -51.48 57.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 15.8 t80 -56.67 -47.93 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.8 m -59.67 -51.58 69.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.13 -59.96 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.13 -43.99 82.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -50.32 -34.64 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' GLY . 43.2 m -54.21 -60.27 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.0 t -71.4 -33.3 69.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -41.46 -62.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CZ ' ' SG ' ' A' ' 74' ' ' CYS . 69.3 m-85 -112.18 -37.87 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 160.89 162.34 12.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 5.5 p-10 -57.76 -40.74 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -52.12 108.16 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 1.6 p80 -167.98 152.04 6.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.5 Cg_endo -69.78 124.64 11.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.11 108.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.543 ' CD2' HG23 ' A' ' 93' ' ' THR . 92.5 m-85 -81.61 145.45 30.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.2 t80 -85.06 114.86 22.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.5 mm -69.58 107.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.85 -153.36 24.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 t -119.51 153.81 34.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 13.4 tp -41.96 -40.58 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -51.53 67.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.06 -57.48 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.1 -46.32 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -49.92 -41.2 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.435 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 2.5 pt20 -59.99 -24.68 64.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -108.74 9.42 26.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.99 -66.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 13.9 m-85 -113.57 -37.92 4.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 4.4 m-30 -44.09 -39.12 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -63.03 166.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.442 ' CD ' ' HG2' ' A' ' 53' ' ' ARG . 2.9 ptpt -52.0 179.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . . . -80.26 -34.14 37.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' HG2' ' CD ' ' A' ' 51' ' ' LYS . 1.5 ptt180 -59.17 -25.43 63.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 32.8 p30 -117.77 16.38 14.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.481 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 12.7 mtp180 -61.14 138.18 58.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.418 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 75.9 mttt -148.32 176.95 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.565 HD13 ' CE2' ' A' ' 91' ' ' PHE . 6.3 mt -112.58 167.42 10.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.9 tp -105.08 144.38 31.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.11 112.86 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CD1' HG13 ' A' ' 137' ' ' ILE . 5.3 mp -89.52 122.37 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -112.45 108.97 18.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.0 mt -82.47 129.1 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -116.71 128.33 55.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.404 ' ND1' ' HB2' ' A' ' 66' ' ' GLU . 11.2 t-80 -139.51 113.61 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.9 t70 -56.14 -56.18 24.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' ASP . 45.7 mm-40 -36.43 -45.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 t -55.06 145.56 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 69' ' ' LEU . 22.7 m -87.14 -26.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 ' N ' HG22 ' A' ' 68' ' ' VAL . 13.4 mt -73.14 -30.36 63.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 89.7 m -61.24 -31.61 71.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -67.43 -52.14 43.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -74.52 -54.76 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 13.9 t80 -45.56 -19.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 72' ' ' VAL . 1.6 m -69.46 -67.0 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.421 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 78.3 p -88.27 -2.68 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 mm100 -97.96 -50.87 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.92 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 15.3 mt -46.97 -26.29 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.421 ' HB3' ' C ' ' A' ' 75' ' ' SER . 13.9 p -58.8 -37.63 76.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.06 115.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -70.67 -44.19 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 44.4 p -50.69 -22.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' SER . 70.8 mt -94.79 -69.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 19.9 m -38.3 -28.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' ILE . 22.7 t -85.27 -63.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 3.6 t80 -48.66 -45.16 38.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.11 -40.12 95.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.6 p -68.17 -38.75 82.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -78.77 -62.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.06 -43.89 97.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 57' ' ' LEU . 3.0 m-85 -114.74 177.34 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.8 mm -102.13 120.76 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.543 HG23 ' CD2' ' A' ' 35' ' ' PHE . 94.5 m -74.62 120.13 19.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 40' ' ' LEU . 5.7 t90 -153.42 120.9 5.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -123.34 166.5 15.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -151.59 122.79 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.591 ' OD1' ' CE2' ' A' ' 20' ' ' PHE . 1.8 m-20 -78.51 111.56 14.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.97 10.75 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -49.21 -45.86 45.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -82.22 138.8 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -52.09 -51.2 59.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.2 m -54.44 -54.21 43.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -54.35 -57.75 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -43.57 -59.63 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -56.34 -51.74 67.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 105' ' ' ALA . 60.4 ttt180 -36.43 -56.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -56.42 -53.48 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.3 mt -51.74 -43.11 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.6 m -63.81 -67.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.0 ptm -47.08 -46.35 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 t -46.81 -57.19 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 112' ' ' ASN . 25.2 t-20 -45.6 -49.79 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -51.91 -44.0 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -82.82 -68.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.564 ' CE2' HD11 ' A' ' 137' ' ' ILE . 88.1 m-85 -78.26 -68.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.57 166.92 12.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.554 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.5 t -58.53 -41.38 85.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 25.7 m -47.22 -24.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.7 t -91.07 -63.17 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.26 -46.6 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -53.68 -54.24 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 95.2 m -42.58 -32.83 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.461 HG22 ' CD1' ' A' ' 133' ' ' LEU . 88.9 mt -85.89 -50.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -51.29 -38.23 51.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.8 t -72.48 -34.6 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -63.62 147.54 51.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -77.76 169.91 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 38.4 m -66.46 -36.85 83.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.69 -47.06 64.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -40.03 -46.36 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 70.4 m-85 -53.65 153.58 7.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.83 142.79 71.84 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.331 0.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 123' ' ' ILE . 13.1 mt -96.44 104.71 16.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.58 114.55 27.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.3 mp -115.47 152.27 33.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 93.0 mt -113.07 110.97 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.564 HD11 ' CE2' ' A' ' 115' ' ' PHE . 28.8 mm -105.21 120.83 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.597 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 5.7 ptm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -152.11 162.63 40.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 67.4 t -93.75 130.02 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.07 -62.76 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.75 139.31 53.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 96.6 t -117.64 126.96 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.401 ' CG2' HG21 ' A' ' 154' ' ' THR . 45.4 mt -118.08 106.68 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -42.69 -61.43 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 143.84 -19.8 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -79.58 11.79 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' THR . . . . . 0.401 HG21 ' CG2' ' A' ' 150' ' ' ILE . 8.0 t -77.53 177.65 7.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 158' ' ' GLU . 81.3 p -95.85 131.07 42.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 155' ' ' THR . 12.2 p -34.95 -35.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 155' ' ' THR . 7.4 m-20 -64.04 -50.08 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 155' ' ' THR . 6.1 mt-10 -48.68 -37.51 18.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 11.1 mt -69.27 -47.32 64.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -53.24 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 162' ' ' ARG . 2.8 mmt -66.3 -55.25 16.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' MET . 1.3 mmp_? -38.14 -49.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.2 mt -47.91 -54.51 12.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.6 mmt -53.11 -58.96 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -42.56 -50.56 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -48.4 -40.81 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.1 mtp -69.57 -60.83 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -45.9 -42.65 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 30.8 mt -75.66 -49.34 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -42.67 -62.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' OE1' ' A' ' 13' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.932 0.396 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 15' ' ' ASP . . . -37.45 -62.96 0.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.461 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 14' ' ' GLY . 7.0 t70 -36.99 -56.4 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.42 -50.75 9.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.19 -52.09 66.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.1 mt -46.99 -41.08 15.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -66.43 -48.12 71.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -60.31 -53.94 51.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -39.3 -58.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.8 -55.35 31.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -48.85 -44.41 39.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.2 t80 -58.38 -37.05 74.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 m -73.21 -40.16 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.6 p -69.4 -40.59 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -78.36 -63.18 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.424 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 38.7 m-85 -78.36 -68.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.93 151.73 7.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -48.14 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.313 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.6 m -54.62 102.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -167.56 157.6 9.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.75 124.56 11.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.92 120.07 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 75.9 m-85 -82.25 145.26 30.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CD2' ' OE1' ' A' ' 46' ' ' GLU . 43.6 t80 -68.59 103.81 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.98 104.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' OE2' ' A' ' 13' ' ' GLU . . . 159.02 -164.3 33.69 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -89.53 144.56 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 8.9 tp -49.99 -24.5 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -56.46 -51.9 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . . . -55.77 -51.01 68.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -35.64 -40.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -61.23 -44.13 97.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.536 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 5.3 pt20 -77.12 -45.94 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.621 ' OE1' ' CD2' ' A' ' 36' ' ' PHE . 27.8 tt0 -57.55 -9.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.97 -35.99 3.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 24.9 m-85 -97.72 -41.68 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 2.9 m-85 -77.69 16.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 46' ' ' GLU . 32.7 m -86.26 171.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.96 154.43 22.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.11 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -78.2 -39.2 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.57 15.31 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 43.9 mtm-85 -54.19 135.7 43.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 9.6 mtmp? -144.05 178.21 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 38.3 mt -112.02 175.33 5.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.4 tp -109.81 133.9 52.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.548 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . . . -121.29 110.56 16.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.5 mt -93.07 115.6 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -108.62 112.03 24.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD11 ' CE2' ' A' ' 107' ' ' PHE . 33.9 mt -91.38 106.34 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -84.28 118.83 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 5.3 t-80 -126.96 120.63 29.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.6 t0 -68.81 -56.51 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.497 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 29.4 mt-10 -33.44 -45.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.9 t -58.31 139.25 55.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.2 m -90.43 -26.77 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 70' ' ' THR . 12.5 mt -65.68 -47.77 74.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 69' ' ' LEU . 86.1 m -32.11 -43.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.532 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 1.3 p-10 -48.84 -54.15 16.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.532 ' N ' ' CG ' ' A' ' 71' ' ' ASN . 23.6 m -84.45 -44.97 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.581 ' CD2' ' HE3' ' A' ' 77' ' ' MET . 1.7 t80 -40.34 -35.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.467 ' CB ' HD12 ' A' ' 78' ' ' LEU . 27.6 p -90.97 -37.88 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.424 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 12.1 m -74.4 -12.1 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' VAL . 30.2 mm-40 -109.83 -38.73 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.581 ' HE3' ' CD2' ' A' ' 73' ' ' PHE . 19.4 mtt -99.85 -49.43 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.467 HD12 ' CB ' ' A' ' 74' ' ' CYS . 87.5 mt -82.64 17.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 75' ' ' SER . 2.6 p -105.35 -23.92 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.95 128.81 34.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -64.91 -40.2 94.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.8 t -62.81 -34.23 76.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.6 mm -76.15 -58.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.48 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 24.9 m -54.6 -35.1 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 89' ' ' GLN . 3.9 t -77.21 -58.45 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -50.53 -46.78 57.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 tp -68.03 -34.51 76.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.4 p -86.5 -11.61 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -96.55 -58.11 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.95 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.487 ' ND2' ' HG2' ' A' ' 89' ' ' GLN . 6.1 m-80 -80.09 -36.73 35.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.473 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.8 m-85 -110.53 167.99 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.8 mm -95.76 122.63 47.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.426 HG22 ' CD1' ' A' ' 35' ' ' PHE . 26.0 m -86.4 113.26 22.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 82.1 t90 -140.82 127.45 20.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.527 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -124.07 155.33 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.492 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 76.4 t-105 -142.33 109.58 5.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -71.62 107.99 4.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -116.36 17.53 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.427 HG22 ' CB ' ' A' ' 65' ' ' ASP . 22.0 m -51.73 -43.47 62.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -68.66 149.78 48.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 101' ' ' ASP . 30.9 t0 -58.71 -58.04 10.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.4 t -41.89 -52.59 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.29 -39.93 78.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 ttt-85 -47.79 -53.12 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.68 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 109' ' ' THR . 69.7 mtt-85 -43.36 -65.6 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.548 ' CE2' HD11 ' A' ' 62' ' ' LEU . 39.8 t80 -43.26 -45.91 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.427 ' O ' ' SG ' ' A' ' 111' ' ' CYS . 17.3 mt -72.2 -23.51 61.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' ARG . 32.0 m -82.26 -29.04 31.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.9 ptm -85.19 -38.07 19.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 108' ' ' LEU . 28.3 p -53.3 -26.86 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -74.44 -29.75 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -87.89 -41.72 13.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -71.5 -62.0 1.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -92.63 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 148.18 -157.93 27.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -82.6 -55.17 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.6 t -38.89 -61.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.63 -46.5 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.04 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -44.59 -47.21 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.3 m -38.87 -51.73 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.7 mt -70.18 -56.43 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -40.29 -44.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 67.7 p -68.41 -40.6 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -53.86 119.55 5.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -59.21 177.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.1 m -72.74 -56.04 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.12 -41.97 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -45.17 -43.53 10.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.5 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 21.6 m-85 -52.12 158.6 1.76 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.74 165.95 75.24 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.357 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 16.5 mt -115.38 111.15 20.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 59' ' ' ALA . 2.2 t80 -97.44 119.05 35.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.474 HD11 ' N ' ' A' ' 135' ' ' LEU . 2.8 mp -123.6 143.45 50.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 57.4 mt -113.52 104.53 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 31.7 mm -96.96 107.33 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.538 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 14.6 ttp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -160.7 168.06 25.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.9 t -106.28 125.24 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 147' ' ' LEU . 2.2 mm? -93.96 -62.86 1.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . 0.452 ' ND2' ' HD3' ' A' ' 162' ' ' ARG . 91.8 m-20 -121.54 140.93 51.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 67.4 t -128.97 108.18 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.4 mt -99.78 140.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.44 -67.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 170.46 -27.79 0.11 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -80.05 12.98 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' THR . . . . . 0.407 HG22 ' CE ' ' A' ' 77' ' ' MET . 8.9 t -65.43 178.15 1.01 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 158' ' ' GLU . 74.1 p -129.23 146.76 51.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 155' ' ' THR . 69.8 t -37.34 -48.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.44 -41.4 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 155' ' ' THR . 21.6 mm-40 -60.86 -48.04 83.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 77' ' ' MET . 55.2 mt -49.38 -57.79 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 5.4 mmt -48.18 -53.45 16.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.6 mtp -57.09 -58.79 6.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.452 ' HD3' ' ND2' ' A' ' 148' ' ' ASN . 12.7 mmp_? -47.45 -48.08 26.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.04 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 33.4 mtp -46.11 -51.86 13.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.92 -48.87 72.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . 0.422 ' HB1' ' CD1' ' A' ' 57' ' ' LEU . . . -52.26 -35.81 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 41.7 mmm -73.37 -48.36 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -61.14 -38.25 85.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 74.1 mt -65.44 -38.62 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.435 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 26.1 t80 -53.15 -68.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 170' ' ' PHE . 1.3 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.935 0.398 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.24 -59.37 6.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.71 -41.9 56.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.55 -48.48 71.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' LEU . 92.7 mt -63.75 -53.01 57.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LEU . 10.5 mt -34.03 -55.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -59.13 -57.86 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 2.4 t80 -46.71 -53.94 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -44.58 -52.51 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.43 -53.28 56.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' PHE . 9.7 mm-40 -58.19 -61.19 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.6 t80 -33.75 -57.76 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 38.8 p -58.77 -66.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . 12.6 t -37.66 -52.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -39.78 -63.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -91.65 -67.74 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.42 -155.32 11.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -39.19 15.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 t -52.87 107.43 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -167.9 152.99 6.65 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.546 0.688 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 127.46 14.63 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 10.9 p -56.63 106.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CE1' ' HB1' ' A' ' 95' ' ' ALA . 71.1 m-85 -78.39 138.15 38.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 11.3 t80 -75.26 119.12 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mm -81.85 114.97 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.26 179.46 26.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -73.06 137.87 45.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 13.1 tp -51.69 -39.17 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.54 -30.04 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -76.98 -54.87 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.82 -35.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.544 ' CE1' HD21 ' A' ' 58' ' ' LEU . 68.2 m-85 -58.62 -48.27 81.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' ALA . 5.4 pt20 -58.71 -43.62 90.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 29.6 tp10 -62.63 -15.59 52.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.19 -49.63 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.02 -68.13 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.44 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 24.3 m-85 -43.74 -28.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.79 171.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.51 137.59 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.24 -31.16 13.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -49.29 -47.32 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.93 -70.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 54.46 34.23 20.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -52.4 176.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.544 HD12 ' CE2' ' A' ' 91' ' ' PHE . 14.4 mt -112.81 171.39 7.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.544 HD21 ' CE1' ' A' ' 44' ' ' PHE . 40.7 tp -109.61 147.58 32.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.414 ' HB3' ' CE1' ' A' ' 134' ' ' PHE . . . -144.91 113.15 6.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -89.08 129.26 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE1' HD12 ' A' ' 78' ' ' LEU . 33.5 t80 -115.22 104.16 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.498 HD12 ' CZ ' ' A' ' 107' ' ' PHE . 95.6 mt -82.48 124.33 29.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -106.26 130.59 54.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -133.02 125.21 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLU . 29.8 t0 -70.31 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' ASP . 52.6 mt-10 -34.39 -42.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 t -61.78 135.36 57.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.8 m -86.09 -23.47 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.446 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 31.3 mt -70.65 -32.05 69.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.0 m -60.41 -46.34 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -46.29 -64.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 73' ' ' PHE . 26.8 m -69.46 -51.82 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.586 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 3.3 t80 -37.83 -35.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 2.2 m -61.17 -68.99 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 54.0 p -76.96 0.07 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' VAL . 66.8 mm-40 -93.68 -56.26 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.586 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 15.1 mtt -104.72 -38.89 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 61' ' ' TYR . 13.6 mt -81.18 17.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.41 ' HB3' ' C ' ' A' ' 75' ' ' SER . 15.8 p -101.66 -33.38 9.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.42 143.6 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -86.77 -32.19 20.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.8 m -66.86 -33.53 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.8 mt -81.75 -60.5 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.4 m -49.4 -31.32 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 m -84.24 -67.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 5.0 t80 -45.71 -37.5 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.88 -46.53 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.6 p -75.09 -43.29 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -58.72 -53.02 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -84.53 -56.05 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.544 ' CE2' HD12 ' A' ' 57' ' ' LEU . 10.4 m-85 -97.27 177.21 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mm -105.06 107.61 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.8 m -69.76 124.21 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 64.7 t90 -148.32 123.02 9.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.406 ' HB1' ' CE1' ' A' ' 35' ' ' PHE . . . -109.81 156.34 20.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 70.9 t-105 -148.32 127.45 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.34 109.6 20.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.408 HD23 ' CE2' ' A' ' 131' ' ' PHE . 1.6 pt? -112.34 12.77 20.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.3 m -49.06 -49.9 39.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.432 ' N ' ' HE2' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -63.73 139.31 58.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -48.35 -50.16 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -54.53 -55.4 29.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -53.18 -45.06 68.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -46.22 -49.73 16.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 108' ' ' LEU . . . -61.94 -48.25 81.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 110' ' ' MET . 69.0 mtt180 -40.29 -57.74 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.498 ' CZ ' HD12 ' A' ' 62' ' ' LEU . 60.3 t80 -52.92 -31.81 42.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 105' ' ' ALA . 12.6 mt -79.9 -65.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 110' ' ' MET . 0.8 OUTLIER -48.76 -41.93 33.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -69.17 -38.12 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 107' ' ' PHE . 1.7 m -64.53 -43.06 95.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -50.54 -32.45 18.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -94.56 -57.31 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -51.97 -59.94 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -97.56 -68.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.9 -169.31 35.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.7 m -82.73 -42.67 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 22.2 m -48.72 -22.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -89.45 -57.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.92 -53.54 47.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -42.92 -55.05 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.8 m -46.74 -44.28 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.4 mm -57.85 -48.91 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -44.78 -43.51 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.0 p -71.87 -37.34 70.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -56.67 122.29 11.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -73.5 177.87 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.8 m -70.62 -64.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -39.92 -45.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -41.37 -42.19 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 133' ' ' LEU . 16.3 m-85 -52.07 158.9 1.62 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.4 Cg_endo -69.79 -178.09 16.0 Favored 'Cis proline' 0 C--O 1.232 0.211 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.337 0.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 131' ' ' PHE . 38.4 mt -133.6 103.78 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 3.4 t80 -90.17 111.28 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 135' ' ' LEU . 1.1 mm? -102.74 163.54 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 162' ' ' ARG . 87.0 mt -138.0 106.98 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 138' ' ' MET . 5.4 mp -103.86 137.21 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.436 ' N ' HG22 ' A' ' 137' ' ' ILE . 2.4 ttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.784 0.326 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.55 147.81 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.505 ' O ' ' CG2' ' A' ' 146' ' ' VAL . 2.6 m -80.64 119.62 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.1 mp -77.43 -21.18 53.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . 0.543 ' ND2' ' NH1' ' A' ' 162' ' ' ARG . 58.8 m-20 -158.0 146.93 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . 0.478 ' HA ' ' CD1' ' A' ' 135' ' ' LEU . 64.0 t -122.81 101.98 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.452 ' CG2' ' HB ' ' A' ' 154' ' ' THR . 10.6 mt -92.33 150.72 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.463 ' HG3' ' CD2' ' A' ' 133' ' ' LEU . 2.4 mp0 -115.81 178.38 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -68.01 -21.01 73.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -78.93 2.43 20.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' THR . . . . . 0.499 ' O ' ' CE ' ' A' ' 77' ' ' MET . 2.6 t -69.25 147.59 51.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.1 p -84.86 133.07 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 11.9 p -40.34 -42.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.6 -44.5 93.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.12 -49.04 72.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 79.6 mt -45.38 -55.92 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 41.4 tpp -56.19 -43.39 78.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 162' ' ' ARG . 73.3 mmm -59.61 -59.61 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.543 ' NH1' ' ND2' ' A' ' 148' ' ' ASN . 7.9 mmt180 -37.01 -63.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 88.6 mt -43.12 -58.52 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.2 mtm -48.08 -42.8 29.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.89 -61.77 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -44.01 -41.42 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 3.5 mmt -60.97 -53.33 58.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.43 -52.13 66.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.2 mt -57.03 -39.21 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.37 -55.18 34.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.58 -47.57 17.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -57.82 -55.19 38.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.63 -41.64 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' LEU . 92.5 mt -71.21 -56.52 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.8 mt -34.38 -43.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -67.73 -66.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -45.49 -52.4 10.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.4 p -46.58 -49.45 18.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.69 -67.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' PHE . 9.0 mm-40 -52.46 -61.12 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.458 ' CZ ' ' SG ' ' A' ' 74' ' ' CYS . 24.7 t80 -33.69 -42.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' SER . 4.2 m -79.3 -64.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' SER . 29.7 t -37.14 -41.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -54.19 -58.67 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.507 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 30.4 m-85 -84.66 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.58 -160.97 22.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -89.82 -44.61 9.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -53.22 114.64 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -167.45 156.15 8.94 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 128.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -58.67 114.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' A' ' 93' ' ' THR . 69.4 m-85 -88.45 127.24 35.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.41 107.63 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.0 mm -66.97 104.73 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.32 -163.38 33.89 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' ALA . 77.3 p -101.58 153.35 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 tp -41.18 -40.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.57 -40.07 78.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' SER . . . -58.71 -55.05 40.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.79 -45.13 3.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -57.65 -35.79 70.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.432 ' OE1' ' CE2' ' A' ' 49' ' ' TYR . 5.9 mm100 -66.52 -21.54 66.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.01 7.07 14.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.21 -59.93 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -116.08 -36.11 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.432 ' CE2' ' OE1' ' A' ' 45' ' ' GLN . 3.0 m-85 -51.04 -27.02 7.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.419 HG22 ' C ' ' A' ' 54' ' ' ASP . 19.7 m -62.16 177.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 161.17 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.66 -33.17 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.507 ' O ' ' NE ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -82.07 -34.09 29.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.419 ' C ' HG22 ' A' ' 50' ' ' VAL . 8.5 m-20 -85.93 0.54 52.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -53.15 146.98 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -150.01 177.99 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 91' ' ' PHE . 85.5 mt -111.58 162.15 15.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.6 tp -116.01 147.52 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -147.21 109.25 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -83.17 125.59 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE1' HD13 ' A' ' 78' ' ' LEU . 14.6 t80 -108.63 105.53 15.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.528 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 81.3 mt -77.3 116.89 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -89.38 135.08 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.533 ' CE1' HG21 ' A' ' 128' ' ' THR . 8.1 t-80 -143.24 124.06 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.95 -56.73 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 22.2 mt-10 -37.86 -41.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 t -58.94 154.43 15.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -97.42 -34.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.84 -33.11 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.6 m -55.13 -40.4 70.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -49.7 -63.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' GLN . 15.8 m -70.88 -55.69 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 8.5 t80 -46.26 -20.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.458 ' SG ' ' CZ ' ' A' ' 24' ' ' PHE . 10.8 t -73.87 -54.65 7.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.507 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 95.6 p -97.11 0.83 49.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' VAL . 95.8 mm-40 -106.09 -47.12 3.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.584 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.9 -56.53 2.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 61' ' ' TYR . 7.5 mt -59.8 -28.88 67.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.437 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.3 m -90.18 -8.54 50.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.1 102.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -57.09 5.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -48.31 -19.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.472 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 80.2 mt -98.06 -69.42 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' ILE . 23.6 m -36.87 -30.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' ILE . 2.8 m -70.72 -52.87 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.659 ' CE2' ' CG ' ' A' ' 90' ' ' ASN . 44.6 t80 -79.26 -55.41 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 91' ' ' PHE . 6.7 tp -41.77 -34.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -90.04 -43.04 10.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.75 -61.2 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.659 ' CG ' ' CE2' ' A' ' 86' ' ' TYR . 5.8 m-80 -77.07 -50.63 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 57' ' ' LEU . 3.1 m-85 -99.13 176.01 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.9 mm -113.25 117.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.525 HG22 ' CD1' ' A' ' 35' ' ' PHE . 27.4 m -79.82 134.48 36.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.434 ' CZ3' ' HB2' ' A' ' 96' ' ' TRP . 58.4 t90 -155.81 108.75 2.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.13 146.14 25.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.434 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 74.8 t-105 -140.29 128.64 22.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.66 107.72 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -115.12 7.63 15.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.4 m -63.52 -40.15 96.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -65.25 125.39 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 100' ' ' LYS . 6.8 p-10 -33.78 -50.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.6 p -56.43 -65.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 104' ' ' ARG . 3.0 m120 -50.18 -53.8 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 103' ' ' ASN . 7.6 tmm_? -33.99 -59.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.98 82.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -43.52 -67.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.528 ' CZ ' HD22 ' A' ' 62' ' ' LEU . 71.0 t80 -41.5 -61.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 mt -42.47 -53.91 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.3 m -56.74 -46.19 81.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.3 mtm -58.94 -52.81 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.481 ' SG ' ' CZ ' ' A' ' 107' ' ' PHE . 6.9 m -59.42 -43.79 92.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -42.54 -39.41 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' HIS . 9.4 ttt85 -93.77 -66.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' ARG . 15.2 m-70 -34.57 -56.12 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 137' ' ' ILE . 20.5 m-85 -96.81 -59.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.08 166.74 13.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 t -59.82 -44.7 93.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.3 t -48.22 -46.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 83.0 t -67.84 -65.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -39.36 -56.44 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -40.46 -49.13 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 95.0 m -50.93 -41.63 59.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.3 mm -67.08 -24.73 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -73.54 -55.5 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.8 t -66.4 -23.84 66.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.403 ' NE2' HD23 ' A' ' 133' ' ' LEU . 13.3 mm-40 -65.71 117.47 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -68.57 174.45 4.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.533 HG21 ' CE1' ' A' ' 64' ' ' HIS . 72.8 m -69.89 -59.64 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.6 OUTLIER -36.4 -42.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -50.35 -46.4 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.521 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 44.3 m-85 -52.05 156.08 2.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.76 164.91 78.02 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.34 0.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.403 HD23 ' NE2' ' A' ' 126' ' ' GLN . 13.6 mt -122.33 105.09 9.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -92.21 114.55 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.69 136.91 52.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.2 mt -106.39 113.88 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 115' ' ' PHE . 4.8 mp -106.63 147.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.465 ' HG3' ' CD2' ' A' ' 57' ' ' LEU . 13.0 ttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -163.1 164.34 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.6 t -79.58 114.03 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 147' ' ' LEU . 2.6 mm? -82.08 -54.7 5.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -127.6 154.62 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 67.2 t -131.86 106.5 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.467 HD11 ' CB ' ' A' ' 162' ' ' ARG . 42.6 mt -106.98 144.48 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -105.42 149.99 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -53.15 -15.27 3.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.71 8.77 13.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 7.2 t -79.22 170.79 16.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.168 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 65.0 p -102.15 148.21 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.44 ' CG2' ' SD ' ' A' ' 77' ' ' MET . 86.5 t -46.41 -51.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -58.34 -50.88 72.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -49.8 -51.04 42.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 73' ' ' PHE . 15.1 mt -45.83 -64.66 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 83' ' ' ILE . 18.0 tpp -48.5 -45.66 37.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.2 mmt -57.34 -50.51 72.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.467 ' CB ' HD11 ' A' ' 150' ' ' ILE . 10.4 mmt180 -50.96 -54.28 25.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.526 HD23 ' CE2' ' A' ' 91' ' ' PHE . 57.5 mt -43.53 -49.44 7.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.7 mtt -60.58 -37.7 82.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.64 67.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -89.42 -38.97 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -32.19 58.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.85 -34.72 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -73.89 -40.18 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -48.63 -56.75 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 43.0 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' GLY . 2.5 mp0 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.95 0.405 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -37.86 -68.82 0.37 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.98 -50.27 69.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.24 -48.93 12.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' LEU . 58.3 mt -61.23 -55.44 31.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' LEU . 11.8 mt -33.96 -53.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -54.72 -50.77 67.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.96 -52.59 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.3 m -53.62 -42.96 68.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.62 -62.95 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.42 -48.06 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 3.1 t80 -53.34 -54.43 36.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -40.32 -65.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.9 m -60.85 -47.03 88.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -39.92 -63.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -94.67 -62.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.57 166.51 35.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -45.31 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.15 108.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -168.01 154.35 7.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.588 0.708 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 119.7 6.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.05 111.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD2' ' CG2' ' A' ' 93' ' ' THR . 65.6 m-85 -85.26 140.0 31.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 7.2 t80 -77.21 112.23 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.9 mm -71.48 113.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.35 -139.76 6.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.8 p -122.49 151.38 41.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.573 HD12 ' CZ3' ' A' ' 94' ' ' TRP . 18.4 tp -43.55 -40.87 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -57.57 -62.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.3 -52.14 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.02 -52.07 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -46.65 -48.89 19.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.551 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 54.8 mt-30 -55.56 -63.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' C ' HG11 ' A' ' 50' ' ' VAL . 10.9 tp10 -60.38 -0.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -98.87 -47.68 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' C ' ' H ' ' A' ' 50' ' ' VAL . 17.6 m-85 -118.0 -30.33 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.551 ' CD1' ' HA ' ' A' ' 45' ' ' GLN . 3.0 m-85 -76.89 17.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.988 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.465 HG11 ' C ' ' A' ' 46' ' ' GLU . 35.6 m -98.94 176.0 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -54.61 135.19 46.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.36 -25.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.2 mmt-85 -89.53 -39.55 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -83.91 16.87 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 26.7 mtp180 -56.78 129.83 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -135.41 175.0 9.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.574 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 52.7 mt -112.33 167.96 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.2 tp -107.77 136.73 47.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.98 122.68 21.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 61' ' ' TYR . 81.1 mt -98.65 135.31 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.403 ' N ' HG21 ' A' ' 60' ' ' ILE . 2.2 t80 -121.71 128.88 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.2 mt -106.5 130.98 54.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -106.46 128.75 54.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.6 t-80 -138.85 117.76 12.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' GLU . 13.5 t70 -64.58 -53.65 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.0 mm-40 -35.94 -44.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 t -57.13 159.64 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.3 m -105.23 -36.53 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.42 -33.84 76.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.0 m -52.11 -50.97 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -39.03 -65.16 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' CYS . 18.2 m -70.47 -55.3 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 7.7 t80 -43.04 -21.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.0 t -73.1 -53.52 10.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.446 ' C ' ' HB2' ' A' ' 79' ' ' CYS . 24.8 p -96.86 0.33 49.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 93.7 mm-40 -105.88 -47.69 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -97.8 -55.73 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 10.2 mt -62.11 -17.38 57.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.446 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.3 m -103.16 18.0 22.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.459 ' HB3' ' CG1' ' A' ' 83' ' ' ILE . . . -86.78 103.01 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -43.53 -51.78 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.7 p -55.2 -37.94 67.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 80' ' ' ALA . 29.7 mm -78.4 -70.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 20.2 m -42.43 -40.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.404 ' N ' HG21 ' A' ' 84' ' ' VAL . 41.0 t -58.95 -56.8 17.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 28.8 t80 -70.1 -58.38 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 91' ' ' PHE . 16.9 tp -41.73 -36.34 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 82.8 p -86.73 -50.76 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.45 -61.29 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.571 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 2.4 m-80 -73.07 -58.13 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.574 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -93.89 176.74 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.4 mm -105.02 132.07 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.569 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 66.6 m -89.23 114.66 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.573 ' CZ3' HD12 ' A' ' 40' ' ' LEU . 11.1 t90 -139.09 116.4 11.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.88 159.6 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -157.93 115.53 3.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -79.16 104.62 9.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -112.13 11.81 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 m -44.54 -68.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -63.0 137.11 58.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -42.49 -50.29 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' ASP . 56.3 m -37.15 -50.69 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -83.79 -35.56 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -39.02 -47.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -74.82 -45.66 41.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' ALA . 9.7 mmt-85 -36.68 -43.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -81.43 -52.79 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -47.65 -64.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.4 m -39.92 -47.92 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 111' ' ' CYS . 1.8 mmt -59.8 -61.51 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 120' ' ' ALA . 7.6 t -36.5 -55.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -40.78 -42.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' HIS . 3.0 ttp180 -90.72 -68.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' ARG . 2.5 m-70 -34.38 -65.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.563 ' CZ ' HG12 ' A' ' 137' ' ' ILE . 28.9 m-85 -94.18 -62.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.1 163.1 14.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 44.8 p -66.3 -46.11 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 119' ' ' VAL . 29.1 m -51.61 -39.74 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.446 ' N ' HG21 ' A' ' 118' ' ' VAL . 99.4 t -73.04 -56.88 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 111' ' ' CYS . . . -51.26 -61.38 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -38.24 -51.91 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 88.2 m -43.63 -46.59 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.6 mm -55.61 -41.95 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.68 -45.55 89.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 70.0 p -66.67 -40.26 88.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -52.07 119.2 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -55.6 176.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 55.3 m -77.46 -55.98 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -39.16 -48.39 1.73 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -39.97 -44.15 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 14.6 m-85 -52.08 157.46 2.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.674 0.75 . . . . 0.0 110.837 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.72 146.89 83.35 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.385 -0.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.4 mt -92.43 119.01 31.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -113.12 107.59 16.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.71 160.07 15.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.3 mt -124.29 108.06 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.563 HG12 ' CZ ' ' A' ' 115' ' ' PHE . 3.7 mp -95.78 104.45 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.5 ttp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.842 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.799 0.333 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -153.25 133.63 13.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.405 ' O ' ' CG2' ' A' ' 146' ' ' VAL . 3.7 m -72.19 125.21 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.0 mp -83.82 -28.4 28.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -147.93 151.36 35.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.8 110.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 24.9 mt -96.09 118.82 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -52.22 -58.27 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 150.93 -17.58 0.94 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -79.85 8.75 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.4 t -69.92 157.22 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 158' ' ' GLU . 16.8 p -95.06 137.04 34.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.1 t -39.51 -48.9 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.39 -38.95 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 155' ' ' THR . 19.6 mm-40 -71.2 -42.07 69.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.9 mt -46.01 -59.02 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 38.8 tpp -45.69 -45.51 14.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -56.52 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -50.45 -52.25 39.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.79 -55.62 31.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.2 mmt -50.48 -45.62 56.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.9 -56.61 17.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -40.36 -49.94 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 3.3 mmt -66.95 -60.85 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -41.82 -42.55 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 26.5 mt -70.4 -45.24 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.27 -63.69 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.1 -52.86 29.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -55.35 -46.43 76.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.16 -45.45 61.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -69.09 -43.9 73.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mt -45.77 -23.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.48 -61.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.3 t80 -49.52 -39.53 34.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.8 m -57.3 -64.0 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.67 -47.7 50.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.74 -59.32 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -42.49 -37.22 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' GLY . 40.3 t -62.07 -61.12 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 m -59.0 -45.62 90.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -42.89 -60.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -96.91 -64.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' SER . . . -176.64 170.93 43.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 3.9 m-20 -60.18 -43.97 95.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -52.44 109.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 1.5 p80 -168.11 152.52 6.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.699 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 54.3 Cg_endo -69.74 151.84 69.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.97 102.62 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -77.02 122.87 25.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.97 125.56 24.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.8 mm -89.22 117.31 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.88 -159.51 27.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.2 p -83.03 177.88 8.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.382 . . . . 0.0 110.831 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 9.3 tp -81.06 -41.77 22.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -53.49 -42.12 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.6 -53.24 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.77 -56.77 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CE1' HD21 ' A' ' 58' ' ' LEU . 45.0 m-85 -46.79 -38.9 10.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 49.6 mt-30 -74.48 -61.58 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -46.9 -19.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.25 -51.24 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 5.0 m-85 -97.58 -65.14 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.474 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 3.3 m-85 -32.84 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 48' ' ' PHE . 17.8 m -59.77 171.77 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -57.36 164.07 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.35 -35.27 79.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -72.31 -21.61 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -107.65 11.39 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -65.44 139.96 58.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 89' ' ' GLN . 49.5 mtmt -155.73 177.87 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 138' ' ' MET . 22.7 mt -111.77 154.65 24.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' A' ' 44' ' ' PHE . 28.9 tp -104.4 154.09 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.57 ' HB3' ' CE1' ' A' ' 134' ' ' PHE . . . -147.67 114.24 6.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.21 129.55 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -114.54 113.79 24.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.571 HD11 ' CE2' ' A' ' 131' ' ' PHE . 52.3 mt -87.42 113.75 23.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -98.53 122.19 41.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 13.9 t-80 -129.19 142.88 50.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.67 -59.2 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 18.8 mm-40 -39.16 -44.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.5 t -55.64 157.34 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.2 m -108.31 -26.15 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 58.5 mt -80.2 12.32 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 m -85.51 -41.5 15.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.3 p-10 -73.36 -45.83 52.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' GLN . 33.3 m -68.96 -51.15 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.65 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 2.4 t80 -47.78 -48.71 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.403 ' CA ' ' HB2' ' A' ' 78' ' ' LEU . 32.1 p -77.35 -46.21 23.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 23.1 t -66.29 -14.53 62.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' VAL . 55.4 mm-40 -108.55 -38.56 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.65 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 12.7 mtt -100.75 -50.25 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' HB2' ' CA ' ' A' ' 74' ' ' CYS . 73.4 mt -80.97 17.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.401 ' HB3' ' C ' ' A' ' 75' ' ' SER . 6.7 p -104.83 -22.38 13.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.09 122.71 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 85' ' ' SER . 27.9 mm-40 -56.04 -40.33 73.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -60.17 -42.43 94.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.466 HG13 ' CG2' ' A' ' 156' ' ' VAL . 34.7 mm -68.17 -58.33 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.429 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 35.3 m -61.44 -26.86 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 28.6 t -74.51 -55.32 6.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.639 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 5.0 t80 -66.76 -41.91 87.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' PHE . 14.1 tp -61.28 -35.09 76.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.7 t -83.83 -37.06 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.425 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 8.9 mt-30 -76.6 -61.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.639 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 5.9 m-80 -67.24 -40.61 86.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 163' ' ' LEU . 4.0 m-85 -116.96 165.5 13.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -95.18 116.29 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.4 m -74.33 135.96 42.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.4 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 3.1 t90 -156.62 118.08 3.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.9 150.94 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -144.91 125.55 14.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -86.85 127.67 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mp -116.37 8.62 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.6 m -40.51 -62.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.408 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -68.18 125.56 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -40.18 -43.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.5 t -46.48 -52.08 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 104' ' ' ARG . 67.9 m-80 -65.83 -52.76 47.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.831 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ASN . 20.6 ttp180 -37.53 -46.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.68 -47.84 61.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -43.48 -64.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.407 ' HA ' ' CG ' ' A' ' 110' ' ' MET . 78.6 t80 -45.86 -58.33 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.7 mt -46.6 -39.14 10.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 95.1 m -73.26 -65.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.407 ' CG ' ' HA ' ' A' ' 107' ' ' PHE . 8.0 ptp -49.58 -29.38 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.65 -41.56 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.486 ' HA ' ' CA ' ' A' ' 116' ' ' GLY . 42.5 t-20 -73.03 -51.9 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -43.36 22.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -88.91 -70.55 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.459 ' CB ' HG12 ' A' ' 119' ' ' VAL . 18.6 m-85 -73.49 -69.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.486 ' CA ' ' HA ' ' A' ' 112' ' ' ASN . . . 147.06 177.96 22.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.7 t -73.18 -46.35 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.5 m -39.35 -36.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.459 HG12 ' CB ' ' A' ' 115' ' ' PHE . 3.0 p -91.59 -42.98 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.419 ' N ' HG11 ' A' ' 119' ' ' VAL . . . -52.36 -46.8 66.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -48.3 -55.76 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 93.6 m -46.62 -46.01 19.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 26.8 mm -58.58 -41.51 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 124' ' ' ARG . 24.1 ttm105 -59.76 -46.58 88.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 56.8 p -66.68 -40.36 88.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -52.12 114.33 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -57.04 171.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.3 m -64.98 -57.23 9.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.8 OUTLIER -44.86 -48.49 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 129' ' ' ASP . 73.2 mm-40 -36.54 -33.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 133' ' ' LEU . 5.3 m-85 -65.02 155.54 83.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.77 161.85 85.36 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.32 -0.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.583 HD11 ' CE1' ' A' ' 131' ' ' PHE . 18.4 mt -114.08 105.81 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 11.0 t80 -93.65 118.56 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 135' ' ' LEU . 5.9 mp -122.22 142.87 49.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 67.2 mt -110.63 130.9 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 138' ' ' MET . 4.8 mp -124.07 142.12 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.61 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 4.8 ttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -141.08 130.61 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 1.9 m -73.14 146.02 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.3 mp -107.78 -32.17 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -135.85 142.41 44.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 91.9 t -127.61 105.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.443 ' CG2' HG21 ' A' ' 154' ' ' THR . 58.9 mt -96.54 120.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 132' ' ' PRO . 8.7 mp0 -62.04 -69.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 168.64 -23.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -81.03 16.53 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' THR . . . . . 0.443 HG21 ' CG2' ' A' ' 150' ' ' ILE . 11.2 t -75.11 161.88 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 48.1 p -99.07 143.92 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.466 ' CG2' HG13 ' A' ' 83' ' ' ILE . 12.4 p -46.2 -38.45 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -60.35 -43.59 96.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 161' ' ' MET . 7.4 mm-40 -53.59 -48.27 69.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 30.9 mt -45.41 -51.98 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 3.8 mmt -46.88 -57.52 4.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 158' ' ' GLU . 5.3 ptm -63.43 -36.21 82.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 161' ' ' MET . 35.6 mmt-85 -58.83 -41.53 87.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 91' ' ' PHE . 65.4 mt -74.95 -48.38 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 13.5 mtt -58.96 -54.66 44.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.19 -40.68 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -60.07 -28.05 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.4 mmt -74.89 -55.74 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 8.4 pt-20 -56.26 -37.27 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.48 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 86.1 mt -72.19 -58.35 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -38.82 -63.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.58 ' OE2' ' CZ3' ' A' ' 96' ' ' TRP . 6.6 mm-40 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.18 -69.32 0.91 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -45.1 -43.2 9.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.38 89.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.0 mt -70.45 -40.72 73.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.7 mt -50.23 -45.98 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -61.8 -45.56 93.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -62.1 -35.63 79.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.7 p -70.65 -53.61 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.6 -36.47 66.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -78.64 -41.59 31.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.5 t80 -56.77 -52.1 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' GLY . 11.0 p -48.34 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 m -56.85 -51.92 67.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -39.72 -61.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -95.42 -65.54 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 178.89 170.74 41.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -64.1 -44.12 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 103.64 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -167.74 152.76 6.71 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.612 0.72 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.52 6.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.531 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 31.1 m -52.56 173.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 20.9 m-85 -141.37 132.95 27.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.17 115.72 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.9 mm -72.82 102.68 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.17 -172.97 35.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.1 t -89.23 156.22 18.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.547 ' HG ' ' CE2' ' A' ' 44' ' ' PHE . 25.0 tp -57.7 -46.07 84.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -46.69 -40.09 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -77.18 -56.9 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -37.49 -37.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE2' ' HG ' ' A' ' 40' ' ' LEU . 20.7 m-85 -56.94 -46.31 82.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 5.0 pt20 -56.65 -51.32 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 6.7 tt0 -53.6 -17.84 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.1 -47.21 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -97.89 -68.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 7.2 m-85 -33.8 -34.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' PHE . 18.5 m -56.99 173.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HE2' ' NH2' ' A' ' 53' ' ' ARG . 13.9 mtpp -52.7 150.18 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -27.29 68.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.413 ' NH2' ' HE2' ' A' ' 51' ' ' LYS . 30.3 mtm105 -86.57 -42.11 13.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -80.99 12.94 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 27.2 mtt-85 -54.71 169.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 33.6 mtmt -165.27 174.83 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' A' ' 91' ' ' PHE . 79.4 mt -112.4 163.59 14.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.545 HD21 ' CE1' ' A' ' 44' ' ' PHE . 33.4 tp -108.36 154.87 21.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.15 106.88 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.6 mt -83.84 132.34 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -117.27 102.16 9.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 107' ' ' PHE . 45.6 mt -83.02 112.42 19.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -88.22 147.48 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.0 t-80 -157.85 124.68 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.79 -55.28 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 20.4 mt-10 -37.55 -49.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -52.73 159.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 69' ' ' LEU . 30.8 m -98.01 -41.23 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.166 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' N ' HG23 ' A' ' 68' ' ' VAL . 15.1 mt -61.01 -26.49 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.406 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 97.2 m -60.62 -46.22 91.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -52.36 -57.38 9.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 74' ' ' CYS . 0.3 OUTLIER -69.83 -69.04 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 5.5 t80 -34.25 -32.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.5 m -58.46 -61.66 2.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.407 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 88.2 p -96.38 1.04 51.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -97.93 -54.47 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -89.02 -72.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 94.0 mt -40.83 -22.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.1 m -80.77 16.82 1.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -89.68 103.36 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -51.05 -22.69 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.9 p -83.24 -44.54 14.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 51.1 mm -69.4 -44.45 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.452 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 12.0 m -65.45 -18.29 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -92.8 -50.56 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.49 ' CE1' ' HB2' ' A' ' 90' ' ' ASN . 5.8 t80 -72.49 -29.85 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 83' ' ' ILE . 63.0 tp -62.53 -36.77 83.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.1 p -92.76 -41.0 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.15 -48.5 81.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.49 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 9.4 m-80 -93.06 -51.41 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.512 ' CZ ' HD11 ' A' ' 57' ' ' LEU . 3.2 m-85 -100.19 178.15 4.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.7 mm -109.08 121.06 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -73.13 131.32 41.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.459 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 16.3 t90 -157.94 108.15 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.65 151.99 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CZ3' ' OE2' ' A' ' 13' ' ' GLU . 73.4 t-105 -149.82 104.85 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.5 107.99 4.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -113.3 9.4 18.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.2 m -45.24 -61.36 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.5 154.2 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.33 -44.03 97.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 m -53.43 -60.54 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 104' ' ' ARG . 55.9 m-80 -64.14 -44.47 92.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -34.35 -56.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.42 -35.39 60.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.33 -43.18 53.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' ' 62' ' ' LEU . 5.4 t80 -60.92 -45.9 92.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.61 -36.1 61.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.0 m -59.13 -26.36 64.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.3 mtt -87.02 -51.03 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.498 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 12.2 p -51.36 -24.63 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 117' ' ' SER . 30.9 t30 -85.96 -59.34 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -36.49 56.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.499 ' CD2' HD21 ' A' ' 40' ' ' LEU . 88.2 m-70 -80.86 -68.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.478 ' CE1' HG12 ' A' ' 137' ' ' ILE . 5.7 m-85 -81.79 -66.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.33 178.88 25.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.428 ' N ' ' OD1' ' A' ' 112' ' ' ASN . 3.8 m -73.94 -52.81 11.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 117' ' ' SER . 88.0 t -36.79 -52.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 120' ' ' ALA . 8.0 p -76.24 -52.79 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.498 ' CB ' ' SG ' ' A' ' 111' ' ' CYS . . . -39.38 -28.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 119' ' ' VAL . 51.6 tt0 -68.39 -50.04 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 123' ' ' ILE . 1.2 t -37.72 -36.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.416 ' N ' HG22 ' A' ' 122' ' ' THR . 59.9 mt -77.23 -49.96 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -42.61 -35.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 71.7 p -76.46 -37.89 56.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -54.86 118.5 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -64.74 178.2 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.6 m -76.37 -46.06 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.9 -36.54 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -60.97 -42.0 97.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 133' ' ' LEU . 17.7 m-85 -52.06 156.78 2.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.8 Cg_endo -69.74 148.81 87.44 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.367 -0.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.566 HD13 ' CE1' ' A' ' 131' ' ' PHE . 12.3 mt -98.38 106.66 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -95.61 107.4 19.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.89 167.29 9.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 48.1 mt -133.63 118.91 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.478 HG12 ' CE1' ' A' ' 115' ' ' PHE . 3.6 mp -112.89 148.25 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.9 ttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.81 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 1.2 p30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.771 0.319 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.72 158.66 44.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 67.1 t -93.97 125.75 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 35.9 mt -86.21 -67.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -109.0 154.98 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 71.6 t -131.72 115.6 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 55.8 mt -105.05 125.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.25 -57.07 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 149.87 -24.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -72.05 -1.99 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 13.3 t -59.79 159.85 8.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.5 p -107.6 153.26 23.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.444 HG12 ' CG1' ' A' ' 83' ' ' ILE . 66.2 t -42.37 -51.38 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -48.67 -51.56 27.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -58.18 -44.57 88.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 36.8 mt -51.92 -46.19 64.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 8.5 mmt -50.36 -49.91 52.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.2 mtt -60.84 -58.77 7.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -43.81 -61.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.93 -54.84 41.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.6 mmm -42.86 -60.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 167' ' ' MET . . . -53.25 -64.49 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.82 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 165' ' ' ALA . 4.7 tmm? -70.06 -67.37 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 1.4 pp20? -50.71 -36.36 35.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.428 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 92.9 mt -52.6 -39.89 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 170' ' ' PHE . 7.5 t80 -77.12 -58.48 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.87 -58.93 5.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.73 -50.07 73.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.8 43.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' LEU . 88.4 mt -65.46 -54.36 29.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' LEU . 27.8 mt -36.34 -54.93 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -55.22 -44.77 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' LEU . 42.0 t80 -62.93 -51.23 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -61.67 -64.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.42 -41.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -79.68 -37.81 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -59.33 -40.95 87.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -53.14 -54.85 29.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -73.14 -35.21 66.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -41.68 -63.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.566 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 5.1 m-85 -98.16 -42.56 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 159.04 146.8 4.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -41.27 -47.54 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 m -52.09 103.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -168.36 153.51 6.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.573 0.702 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.5 Cg_endo -69.75 121.99 8.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 p -56.79 114.55 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD1' HG22 ' A' ' 93' ' ' THR . 76.4 m-85 -88.42 135.3 33.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.29 118.71 9.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.4 mm -82.02 109.33 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.43 -155.54 26.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -94.17 143.41 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD11 ' CE3' ' A' ' 94' ' ' TRP . 11.9 tp -50.26 -50.82 48.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.08 -47.95 4.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . -54.55 -54.76 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . . . -34.09 -36.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' ALA . 62.8 m-85 -67.5 -57.87 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.496 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 16.7 pt20 -61.0 -40.38 93.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 45' ' ' GLN . 4.0 tp10 -62.09 -8.26 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.57 -40.18 3.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 49' ' ' TYR . 19.8 m-85 -98.03 -70.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 7.5 m-85 -33.55 -40.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -52.22 162.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -56.18 174.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.13 -33.02 71.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -71.47 -19.88 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -110.01 17.77 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -64.25 134.5 54.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 9.2 mtmp? -153.86 177.94 10.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.572 HD13 ' CE2' ' A' ' 91' ' ' PHE . 85.7 mt -112.44 168.51 9.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 43' ' ' ALA . 24.9 tp -107.49 140.15 40.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -133.19 110.18 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.2 mt -89.12 134.16 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -121.44 106.96 11.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 107' ' ' PHE . 55.4 mt -84.61 118.72 24.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -101.77 136.63 41.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 1.6 t-80 -143.31 106.32 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 17.9 t0 -54.67 -61.27 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 31.7 mm-40 -33.99 -44.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 t -56.02 156.28 5.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.8 m -98.48 -29.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.08 -42.06 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.0 m -48.74 -32.3 8.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -67.91 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.409 ' CG2' ' H ' ' A' ' 73' ' ' PHE . 16.4 m -62.42 -55.24 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.601 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 9.1 t80 -43.53 -26.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.566 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 14.2 t -61.6 -60.16 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.3 p -94.52 -1.29 53.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -88.53 -56.12 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.601 ' SD ' ' CE2' ' A' ' 73' ' ' PHE . 11.8 mtt -111.3 -34.73 6.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.25 16.15 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.7 p -99.62 -33.42 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.04 116.96 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.32 -41.74 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 t -56.58 -34.66 67.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.4 mt -80.71 -68.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 29.1 m -43.45 -23.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 t -90.13 -50.88 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 2.2 t80 -58.59 -42.32 87.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 91' ' ' PHE . 16.2 tp -59.1 -36.6 75.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.5 p -82.63 -35.72 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -71.99 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 5.3 m-80 -74.85 -51.57 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CE2' HD13 ' A' ' 57' ' ' LEU . 3.9 m-85 -100.05 178.4 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.415 HD12 ' NZ ' ' A' ' 56' ' ' LYS . 35.0 mm -109.68 109.6 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.569 HG22 ' CD1' ' A' ' 35' ' ' PHE . 24.0 m -75.29 131.13 40.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.558 ' CE3' HD11 ' A' ' 40' ' ' LEU . 62.3 t90 -147.16 125.66 12.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.538 ' HB3' ' CE1' ' A' ' 35' ' ' PHE . . . -115.39 153.4 31.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.52 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 76.1 t-105 -149.25 102.59 3.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 4.3 p-10 -68.44 105.15 2.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.432 ' HA ' ' CB ' ' A' ' 103' ' ' ASN . 2.0 pt? -110.8 17.63 20.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.9 m -49.69 -47.56 50.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -66.99 127.99 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.47 -47.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.3 m -49.69 -57.39 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.432 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 33.9 m120 -60.56 -51.45 69.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -43.14 -45.78 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.93 80.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -50.1 -57.16 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' ' 62' ' ' LEU . 72.0 t80 -49.84 -45.28 50.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.1 mt -70.6 -24.47 62.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 52.5 m -79.63 -35.35 39.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 113' ' ' ARG . 23.8 ptm -80.64 -50.28 10.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 120' ' ' ALA . 22.9 p -38.95 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' MET . 17.2 t-20 -75.44 -41.72 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 110' ' ' MET . 13.2 mmt180 -76.19 -37.92 57.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -78.07 -69.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -78.18 -68.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.81 -173.87 25.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.3 t -75.42 -55.18 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.397 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 23.9 m -40.05 -41.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 120' ' ' ALA . 95.5 t -82.95 -59.22 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 119' ' ' VAL . . . -34.21 -37.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 119' ' ' VAL . 12.7 tm0? -58.04 -50.28 73.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 123' ' ' ILE . 1.2 t -46.09 -28.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.449 ' N ' HG22 ' A' ' 122' ' ' THR . 62.6 mt -90.26 -47.25 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -42.86 -39.81 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 77.4 p -71.39 -40.24 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.513 ' OE1' ' NE2' ' A' ' 151' ' ' GLN . 23.7 mm-40 -52.05 128.4 24.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -90.86 178.14 6.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 95.0 m -58.13 -48.51 80.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.8 OUTLIER -55.86 -50.88 69.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 129' ' ' ASP . 5.9 mm100 -36.42 -45.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.524 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 80.1 m-85 -52.39 154.63 4.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.75 -177.08 13.76 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.336 -0.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.68 108.23 7.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -93.77 109.54 21.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.55 154.06 28.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.2 mt -114.93 111.53 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.445 ' CD1' HG13 ' A' ' 146' ' ' VAL . 13.9 mm -92.28 133.66 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.796 0.331 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -144.15 135.41 25.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 146' ' ' VAL . 3.2 m -72.35 120.7 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.33 -34.25 65.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -142.95 152.2 41.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 100.0 t -130.73 114.17 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 20.3 mt -99.64 123.28 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.513 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 7.8 mm-40 -62.48 -63.34 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 161.99 -23.81 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 153' ' ' ASN . 5.6 p30 -81.74 15.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 15.2 t -65.99 172.34 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.8 p -105.03 143.08 33.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.401 ' CG2' ' HG2' ' A' ' 77' ' ' MET . 59.4 t -46.57 -51.49 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -54.03 -44.84 71.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -55.95 -47.02 78.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 77' ' ' MET . 26.9 mt -45.33 -55.87 5.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 1.6 mmt -50.33 -48.77 55.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 10.2 mtm -60.77 -46.69 89.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -49.73 -54.45 18.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.29 -60.62 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 23.6 mmm -43.88 -53.37 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 166' ' ' ALA . . . -55.91 -60.66 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.63 -36.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 165' ' ' ALA . 82.2 mmm -67.89 -68.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 8.8 pt-20 -48.48 -41.01 28.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.457 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 78.7 mt -60.49 -52.23 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -40.3 -61.77 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.904 0.383 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' ASP . . . -39.68 -71.02 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.9 m-20 -35.33 -52.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.84 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.65 -56.91 13.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 mt -55.45 -43.21 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 mt -49.74 -44.28 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -61.94 -48.24 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.53 -44.95 96.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -63.61 -42.2 98.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.22 -51.86 58.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 53.0 mm-40 -64.17 -47.21 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -57.63 -46.21 84.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 t -43.51 -57.03 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -71.78 -49.55 37.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 17.8 mtt85 -42.47 -57.9 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.539 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 40.5 m-85 -92.37 -65.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.83 165.81 31.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.01 -36.35 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -63.24 107.14 1.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -167.36 155.1 8.5 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.595 0.712 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 53.3 Cg_endo -69.82 132.29 22.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.371 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.0 t -57.98 102.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -78.12 123.36 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -62.72 110.47 1.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -71.84 102.23 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.35 -164.41 37.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.1 p -93.14 162.67 13.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.8 -41.58 57.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -71.92 -49.07 40.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.53 -48.77 27.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.12 76.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 10.2 m-85 -46.94 -33.81 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.485 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 83.6 mt-30 -64.86 -58.98 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.55 -16.87 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.7 -50.39 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 49' ' ' TYR . 7.2 m-85 -97.98 -65.18 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.485 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 4.7 m-85 -33.07 -38.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.9 m -52.2 178.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.139 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -77.87 148.89 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.487 ' N ' ' HG3' ' A' ' 51' ' ' LYS . . . -39.48 -42.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -69.05 -33.87 74.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -95.68 18.06 13.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 37.5 mtp85 -67.27 149.44 50.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 27.3 mtmt -162.08 175.56 11.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 138' ' ' MET . 80.5 mt -114.09 154.06 28.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.57 HD21 ' CZ ' ' A' ' 44' ' ' PHE . 12.0 tp -106.47 153.38 22.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' N ' ' HG ' ' A' ' 58' ' ' LEU . . . -148.28 112.84 5.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.13 124.71 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -107.32 102.22 11.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.467 HD23 ' CZ ' ' A' ' 107' ' ' PHE . 84.7 mt -67.37 135.33 53.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -125.52 115.46 20.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 131' ' ' PHE . 12.4 t-80 -118.18 102.73 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.87 -55.91 14.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 12.5 mt-10 -38.3 -37.21 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.7 t -65.53 158.21 27.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -98.1 -22.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 30.7 mt -77.61 -10.58 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -63.56 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -44.28 -48.02 9.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 76' ' ' GLN . 13.0 m -70.39 -56.94 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 11.7 t80 -53.39 -15.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.505 ' CB ' ' CE2' ' A' ' 28' ' ' TYR . 14.8 m -77.68 -54.04 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.404 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 57.5 p -95.77 -3.59 45.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' VAL . 45.0 mm-40 -101.06 -49.23 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.586 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.45 -69.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 10.5 mt -41.43 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -81.93 17.96 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -81.84 102.11 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.21 -37.22 82.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.5 m -68.35 -31.66 71.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' VAL . 81.6 mt -81.97 -68.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 83' ' ' ILE . 29.3 m -37.29 -41.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 56.4 p -60.37 -55.28 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -72.08 -59.41 2.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' PHE . 14.9 tp -42.32 -32.13 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.7 t -90.32 -35.62 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -69.85 -57.82 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -81.74 -45.92 14.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' LEU . 3.3 m-85 -104.87 175.85 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.3 mm -109.45 123.76 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 33' ' ' PRO . 18.3 m -78.71 117.64 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -142.72 116.29 9.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -115.66 156.41 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -144.36 139.3 28.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.4 122.52 38.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 99' ' ' THR . 5.4 mp -100.85 -21.82 15.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' LEU . 15.5 m -33.05 -44.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -70.06 118.88 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -51.11 -58.33 6.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 p -46.49 -33.94 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.457 ' O ' ' C ' ' A' ' 104' ' ' ARG . 1.9 m-80 -77.93 -50.5 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 103' ' ' ASN . 12.2 ttp180 -33.92 -53.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.22 -45.19 91.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ASN . 47.1 mtp85 -47.36 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.486 ' CE1' ' SG ' ' A' ' 111' ' ' CYS . 90.7 t80 -40.86 -54.27 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 40.9 mt -55.45 -41.49 72.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.3 m -70.94 -65.34 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -49.04 -43.27 40.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 107' ' ' PHE . 16.1 m -52.28 -60.32 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.407 ' HA ' ' CA ' ' A' ' 116' ' ' GLY . 1.5 t30 -38.94 -40.06 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -43.84 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 111' ' ' CYS . 16.4 m170 -95.92 -67.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.402 ' CB ' HG12 ' A' ' 119' ' ' VAL . 1.8 m-85 -65.91 -68.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.407 ' CA ' ' HA ' ' A' ' 112' ' ' ASN . . . 143.14 -176.55 22.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.0 p -79.28 -48.85 13.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.7 t -48.98 -54.58 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.402 HG12 ' CB ' ' A' ' 115' ' ' PHE . 5.0 p -59.95 -47.92 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.18 -57.37 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -38.51 -57.73 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.9 m -46.24 -41.72 13.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.8 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -29.53 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.7 p -81.44 4.91 19.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -84.55 109.4 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -53.2 170.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 129' ' ' ASP . 36.3 m -61.02 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.4 OUTLIER -37.52 -50.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' ASP . 29.4 mm100 -36.84 -54.55 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.524 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 80.4 m-85 -52.23 154.77 3.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.79 -177.19 14.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.329 0.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 77.9 mt -143.04 104.84 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -90.93 119.19 30.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.02 146.55 40.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.411 HG22 ' CB ' ' A' ' 166' ' ' ALA . 57.0 mt -114.96 127.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 137' ' ' ILE . 5.0 mp -122.07 134.96 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.434 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 4.3 ptt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.752 0.31 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -156.37 144.02 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 146' ' ' VAL . 2.9 m -79.62 120.13 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 147' ' ' LEU . 2.5 mm? -72.78 -35.94 67.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -146.8 152.21 38.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.17 106.38 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 162' ' ' ARG . 19.9 mt -92.1 139.88 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.447 ' N ' HG21 ' A' ' 150' ' ' ILE . 91.1 mt-30 -77.69 -51.84 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 138.95 -25.3 2.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -75.38 0.8 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.958 0.408 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' THR . . . . . 0.454 HG22 ' CG2' ' A' ' 150' ' ' ILE . 12.3 t -73.87 171.23 13.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.167 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 67.4 p -87.76 136.89 32.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.8 p -42.36 -33.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.32 -43.18 78.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -54.44 -45.0 72.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.435 HD12 ' CZ ' ' A' ' 73' ' ' PHE . 23.3 mt -47.59 -46.61 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 33.5 tpp -48.66 -58.04 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 162' ' ' ARG . 10.4 mtt -51.18 -56.63 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 162' ' ' ARG . 11.9 mmp_? -36.58 -51.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 23.5 mt -57.5 -55.54 33.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.5 mmt -51.04 -50.56 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -42.85 -49.41 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . 0.411 ' CB ' HG22 ' A' ' 136' ' ' ILE . . . -55.79 -36.21 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 55.4 mmm -71.77 -56.36 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.47 -40.97 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 69.8 mt -77.21 -50.81 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 170' ' ' PHE . 2.1 t80 -44.45 -52.73 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.87 -63.85 1.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -39.99 -58.49 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.1 -48.26 22.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.12 -53.89 46.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 mt -40.33 -40.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.67 -43.91 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.1 t80 -67.23 -42.85 83.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.2 p -57.57 -53.85 53.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -60.6 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -52.73 -41.45 64.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.1 t80 -63.3 -45.68 90.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 t -47.12 -51.26 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -76.62 -46.67 25.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -47.65 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 52.7 m-85 -90.43 -67.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.05 -167.79 40.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -101.24 0.78 38.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 m -81.8 18.0 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.32 153.43 40.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 139.7 40.84 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.658 2.238 . . . . 0.0 112.327 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.94 114.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CD1' HG21 ' A' ' 93' ' ' THR . 73.7 m-85 -85.19 140.16 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 t80 -73.96 120.52 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -81.35 115.45 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.35 -157.74 27.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.0 t -97.09 152.48 18.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.531 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 66.1 tp -51.86 -45.46 64.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -42.43 -48.75 5.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -65.01 -55.03 21.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -36.09 -29.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CE1' HD23 ' A' ' 58' ' ' LEU . 34.0 m-85 -71.53 -57.24 4.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.473 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -54.9 -38.28 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -63.21 -12.64 29.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.91 -57.34 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' VAL . 9.3 m-85 -94.45 -70.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.473 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 25.9 m-85 -34.74 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -52.08 170.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -52.36 149.31 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.5 -42.78 74.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -76.79 -38.33 54.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -83.06 17.39 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.477 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 15.7 mtm180 -58.65 143.07 47.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -147.21 174.79 11.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 91' ' ' PHE . 98.3 mt -112.93 170.52 8.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.554 HD23 ' CE1' ' A' ' 44' ' ' PHE . 16.7 tp -119.51 138.47 53.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.57 114.6 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.4 HG12 ' CD1' ' A' ' 137' ' ' ILE . 26.5 mm -79.62 138.64 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -132.67 124.88 29.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.525 HD21 ' CE2' ' A' ' 107' ' ' PHE . 42.0 mt -102.84 117.3 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -98.0 136.07 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.4 t-80 -143.5 118.75 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.2 -53.88 46.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.53 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 12.9 mm-40 -44.23 -47.5 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -58.45 117.32 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -62.26 -30.29 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -58.35 -43.78 88.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.5 m -56.22 -43.37 78.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -46.11 -58.32 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' GLN . 29.7 m -75.46 -54.47 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 77' ' ' MET . 6.2 t80 -38.93 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' CE2' ' A' ' 28' ' ' TYR . 2.4 m -67.55 -51.19 53.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.473 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 17.0 m -95.34 -1.24 51.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' VAL . 90.6 mm-40 -105.59 -47.48 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.584 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.99 -51.51 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 68.3 mt -77.54 17.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 75' ' ' SER . 10.3 p -103.23 -34.08 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.62 102.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -56.17 -40.32 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 m -62.97 -44.42 96.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.1 mt -68.27 -64.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.8 m -44.23 -33.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.0 m -78.05 -44.37 26.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -62.25 -43.69 98.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' PHE . 6.3 tp -64.87 -51.89 59.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 99.4 p -61.99 -43.88 97.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.1 -61.32 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -75.45 -62.27 1.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.52 ' CE2' HD11 ' A' ' 57' ' ' LEU . 3.1 m-85 -86.33 176.67 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.0 mm -111.01 105.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.571 HG21 ' CD1' ' A' ' 35' ' ' PHE . 22.1 m -69.73 124.54 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.531 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 7.7 t90 -142.51 108.4 5.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.545 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -100.47 156.76 17.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -154.03 112.83 3.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -79.04 108.93 12.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -109.35 17.37 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 59.8 m -49.31 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 146.9 27.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 102' ' ' SER . 20.0 p-10 -52.71 -54.17 37.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 101' ' ' ASP . 10.7 t -35.59 -62.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' ARG . 28.3 m-20 -67.97 -44.46 76.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ASN . 32.5 ttt85 -35.68 -59.86 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.98 41.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -38.42 -58.42 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CE2' HD21 ' A' ' 62' ' ' LEU . 18.0 t80 -49.13 -52.32 26.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.6 -44.92 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.8 m -57.65 -53.69 55.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 11.9 ptp -64.12 -36.5 84.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 110' ' ' MET . 4.1 t -53.07 -39.77 63.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.456 ' ND2' ' HB3' ' A' ' 117' ' ' SER . 39.8 t-20 -62.89 -33.16 74.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -82.45 -56.54 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.418 ' CD2' HD23 ' A' ' 40' ' ' LEU . 29.2 m-70 -54.44 -68.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.563 ' CE1' HG12 ' A' ' 137' ' ' ILE . 18.6 m-85 -94.18 -68.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.402 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 161.62 160.12 10.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.507 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.456 ' HB3' ' ND2' ' A' ' 112' ' ' ASN . 27.1 p -54.07 -46.87 72.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 110.878 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.4 t -42.4 -55.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.3 t -54.6 -57.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -44.17 -54.84 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.044 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -49.35 -41.3 38.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 39.4 m -52.25 -40.73 62.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 62' ' ' LEU . 78.3 mt -81.26 -42.28 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -57.7 -40.33 79.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 126' ' ' GLN . 12.4 t -70.07 -28.77 65.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.456 ' N ' HG23 ' A' ' 125' ' ' THR . 51.6 mm-40 -63.28 150.91 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -80.66 163.86 23.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 42.2 m -59.64 -54.51 45.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.4 OUTLIER -50.03 -49.93 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 129' ' ' ASP . 67.3 mm-40 -34.16 -43.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.509 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 41.6 m-85 -52.09 156.28 2.79 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.638 0.733 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.6 Cg_endo -69.75 -177.27 14.16 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.72 -1.784 . . . . 0.0 112.353 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.4 ' CD1' HG23 ' A' ' 123' ' ' ILE . 19.3 mt -133.62 108.72 8.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -96.22 110.23 22.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.5 mp -112.39 153.35 27.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 62.2 mt -124.43 122.27 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.563 HG12 ' CE1' ' A' ' 115' ' ' PHE . 3.9 mp -107.88 137.31 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.469 ' N ' HG22 ' A' ' 137' ' ' ILE . 6.1 tpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.8 p30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -167.97 159.99 11.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.58 114.95 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.3 mp -80.21 -61.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -106.94 143.31 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 98.2 t -127.7 104.86 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 65.3 mt -100.08 133.99 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -94.75 159.16 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -59.87 -22.07 56.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -81.5 17.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 7.6 t -85.74 169.74 13.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 30.4 p -99.56 141.86 31.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 157' ' ' ASP . 7.6 p -50.42 -30.39 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 156' ' ' VAL . 0.7 OUTLIER -68.9 -53.95 18.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -43.39 -46.44 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 86.8 mt -41.69 -66.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 15.3 ttm -44.69 -57.56 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 26.6 mtm -50.5 -61.54 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -43.56 -50.85 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.9 mt -48.43 -59.42 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 53.5 mtp -47.19 -56.63 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -44.94 -60.54 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -42.87 -43.34 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 30.4 mtp -58.71 -41.0 85.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -59.23 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 76.0 mt -39.83 -52.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -39.43 -59.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.901 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -37.67 -61.8 1.04 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . 7.1 m-20 -47.72 -48.29 29.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.01 -44.49 10.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.68 -43.34 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 15' ' ' ASP . 10.2 mt -46.49 -46.09 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -58.27 -60.7 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -50.95 -60.05 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -38.88 -56.8 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.27 76.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -56.89 -62.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -46.2 -54.69 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.6 t -37.5 -64.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 t -63.81 -47.13 82.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -40.29 -62.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.599 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 14.6 m-85 -92.51 -63.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.02 165.74 34.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.46 -44.11 96.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -53.16 114.92 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' ND1' ' C ' ' A' ' 32' ' ' HIS . 2.7 p80 -167.79 152.99 6.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.79 134.45 27.94 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.13 109.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -88.18 125.65 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 7.6 t80 -69.65 120.12 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.7 mm -82.11 106.69 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.17 -154.9 25.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -103.33 148.47 25.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 40.3 tp -46.54 -40.43 12.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 5.6 mm-40 -63.75 -40.1 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.68 43.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.63 -49.42 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.535 ' CD2' ' HA ' ' A' ' 41' ' ' GLU . 23.7 m-85 -41.59 -42.23 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.531 ' C ' ' H ' ' A' ' 47' ' ' ALA . 30.9 mt-30 -59.47 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.424 ' C ' HG12 ' A' ' 50' ' ' VAL . 1.1 tp10 -58.45 -1.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.531 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -93.92 -50.87 5.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 138' ' ' MET . 3.8 m-85 -117.96 -33.64 4.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 3.7 m-85 -69.02 -0.11 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.447 ' C ' ' HG2' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -64.83 -72.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.113 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 66.5 mmtt -153.37 143.43 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.02 -26.03 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -102.89 -37.25 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 5.2 t70 -80.93 12.69 3.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -57.5 108.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 33.8 mtmt -109.47 176.57 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 138' ' ' MET . 13.8 mt -111.94 163.56 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.948 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 59' ' ' ALA . 15.0 tp -107.97 154.53 21.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' N ' ' HG ' ' A' ' 58' ' ' LEU . . . -136.24 105.88 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.453 HG12 ' CG1' ' A' ' 137' ' ' ILE . 41.6 mm -69.06 136.82 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.52 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 40.3 t80 -133.55 102.35 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.535 HD23 ' CE2' ' A' ' 107' ' ' PHE . 96.5 mt -84.01 116.81 23.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -92.58 134.61 34.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 2.8 t-80 -139.39 110.09 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 10.4 t70 -62.84 -60.06 4.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.491 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 51.3 mm-40 -34.39 -45.77 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 t -52.45 140.09 23.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 m -84.92 -34.31 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 70' ' ' THR . 14.1 mt -65.62 -48.54 71.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 69' ' ' LEU . 88.7 m -32.05 -40.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.1 m-20 -50.94 -65.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' GLN . 33.8 m -72.14 -38.93 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 5.5 t80 -43.61 -56.41 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 28' ' ' TYR . 25.2 p -77.47 -43.34 32.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 t -62.44 -17.8 60.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' VAL . 36.3 mm-40 -109.45 -37.86 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.0 mtt -94.02 -70.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.52 HD12 ' CZ ' ' A' ' 61' ' ' TYR . 15.0 mt -50.03 -24.87 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.12 -30.1 49.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.47 125.46 23.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.81 -58.14 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -45.38 -23.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.449 HG13 ' CG2' ' A' ' 156' ' ' VAL . 28.7 mm -85.43 -65.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 88' ' ' SER . 14.0 m -53.14 -24.67 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.6 p -71.48 -56.1 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.657 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 53.2 t80 -68.7 -47.04 67.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.93 -33.58 72.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 35.7 t -84.7 -38.22 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -76.49 -61.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.657 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 2.5 m-80 -69.11 -47.43 65.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.415 ' CE1' ' HG2' ' A' ' 167' ' ' MET . 3.2 m-85 -106.59 175.41 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.8 mm -109.11 114.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.0 m -71.31 126.71 30.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 76.1 t90 -146.66 112.28 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.47 157.69 17.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -147.42 125.05 11.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -83.8 105.35 14.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -113.01 10.05 18.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.4 m -54.91 -51.15 66.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 101' ' ' ASP . 31.3 mtmt -65.74 127.81 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -36.57 -61.01 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 61.4 m -40.61 -55.49 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -61.79 -49.56 75.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -43.7 -50.86 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.17 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -50.6 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.535 ' CE2' HD23 ' A' ' 62' ' ' LEU . 66.9 t80 -51.97 -41.86 62.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.55 -18.71 62.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.8 m -89.06 -40.39 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.28 -30.46 54.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 19.9 p -59.75 -30.8 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -60.77 -39.06 87.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 114' ' ' HIS . 37.9 mtm180 -94.85 -66.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 113' ' ' ARG . 20.0 m170 -33.13 -65.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -92.83 -63.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.79 -169.95 34.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 55.5 m -85.55 -48.86 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.9 t -41.66 -65.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.3 m -57.2 -40.15 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 123' ' ' ILE . . . -53.6 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 120' ' ' ALA . 52.2 tt0 -34.89 -55.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.4 m -53.76 -40.49 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 120' ' ' ALA . 39.4 mm -62.79 -24.61 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -82.44 -29.5 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.7 p -92.24 15.91 12.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.417 ' CD ' HD11 ' A' ' 133' ' ' LEU . 28.1 mm-40 -86.86 129.09 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -81.83 162.3 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.1 m -59.52 -55.97 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -48.81 -48.99 41.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -41.4 -48.69 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.505 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 33.5 m-85 -52.19 157.75 2.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.67 0.748 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.9 Cg_endo -69.76 -178.03 15.84 Favored 'Cis proline' 0 C--O 1.232 0.215 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.339 -0.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.417 HD11 ' CD ' ' A' ' 126' ' ' GLN . 46.1 mt -130.86 104.92 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -95.65 118.11 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 135' ' ' LEU . 5.6 mp -117.79 146.21 43.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 95.2 mt -100.88 112.46 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.453 ' CG1' HG12 ' A' ' 60' ' ' ILE . 10.8 mm -92.17 135.46 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.517 ' O ' ' CE2' ' A' ' 48' ' ' PHE . 5.0 ttp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -151.08 146.63 26.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 135' ' ' LEU . 4.3 m -89.8 127.2 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 64.1 mt -82.13 -32.2 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -150.54 152.06 33.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 86.1 t -121.54 122.15 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 151' ' ' GLN . 22.5 mt -111.05 138.99 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.454 ' N ' HG21 ' A' ' 150' ' ' ILE . 33.0 mt-30 -88.3 177.56 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . 0.431 ' HA2' ' CD2' ' A' ' 73' ' ' PHE . . . -77.74 -21.92 70.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 153' ' ' ASN . 24.5 t-20 -82.61 16.43 2.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.4 t -80.54 160.7 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.8 p -91.4 133.35 35.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.449 ' CG2' HG13 ' A' ' 83' ' ' ILE . 7.8 p -40.77 -48.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.69 -54.25 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -41.88 -44.84 3.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 54.4 mt -52.75 -62.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 34.5 tpp -42.18 -43.17 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 8.9 mtt -69.41 -61.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -46.01 -37.86 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 32.6 mt -71.1 -68.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 165' ' ' ALA . 5.0 ptp -43.81 -34.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.471 ' N ' ' HG3' ' A' ' 164' ' ' MET . . . -58.8 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.47 -40.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.415 ' HG2' ' CE1' ' A' ' 91' ' ' PHE . 12.5 mmm -70.3 -50.08 43.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 165' ' ' ALA . 5.1 mt-10 -57.43 -43.93 84.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.1 mp -72.68 -49.21 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -38.61 -63.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 -179.899 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 39' ' ' SER . 44.6 mt-10 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -37.13 -66.4 0.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.37 -44.72 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.65 62.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' LEU . 96.1 mt -57.43 -56.38 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.8 mt -34.27 -44.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -64.19 -50.27 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.8 t80 -67.66 -58.57 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.449 HG21 ' CD2' ' A' ' 35' ' ' PHE . 19.3 m -48.35 -51.69 25.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.18 -54.21 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' PHE . 23.9 mt-10 -67.42 -62.52 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 t80 -37.26 -40.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -62.46 -52.84 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -72.96 -58.8 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.554 ' HD2' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -39.19 -37.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.554 ' CD2' ' HD2' ' A' ' 27' ' ' ARG . 22.4 m-85 -94.43 -64.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 164.58 153.47 7.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -46.51 -39.46 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.846 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.2 m -63.81 105.17 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 34.0 p80 -167.75 152.08 6.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.4 Cg_endo -69.79 140.69 43.19 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.67 117.72 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.49 ' CD1' HG22 ' A' ' 93' ' ' THR . 94.0 m-85 -92.76 134.17 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -78.32 120.74 23.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.95 114.5 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.09 -154.01 25.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 13' ' ' GLU . 20.0 m -101.29 160.47 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 37.0 tp -53.65 -45.41 70.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.561 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 38.1 mt-10 -53.14 -47.93 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.55 -52.23 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -40.9 -44.31 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 41' ' ' GLU . 24.9 m-85 -47.68 -40.85 21.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -31.42 72.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.496 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 6.7 tp10 -107.76 9.22 29.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -98.0 -66.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -110.3 -37.74 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -51.13 -30.44 16.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 46' ' ' GLU . 19.7 m -55.46 174.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -58.72 171.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.48 -37.38 71.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -76.17 -31.82 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.51 9.81 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -53.3 146.22 12.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -151.54 173.28 14.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 55.1 mt -112.4 161.57 16.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 tp -106.82 129.27 54.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.22 111.38 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.422 ' CD1' HG13 ' A' ' 137' ' ' ILE . 5.2 mp -77.3 133.98 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -118.71 106.08 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.1 mt -83.28 122.18 28.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -102.51 126.18 49.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 13.9 t-80 -130.74 114.93 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.1 t70 -61.99 -61.33 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 76.0 mt-10 -35.26 -46.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -61.01 143.85 54.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 69' ' ' LEU . 35.1 m -88.39 -38.89 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 71' ' ' ASN . 12.6 mt -49.64 -47.09 50.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 69' ' ' LEU . 54.1 m -32.92 -33.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 69' ' ' LEU . 26.4 t-20 -72.14 -65.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 76' ' ' GLN . 32.9 m -61.78 -47.83 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' ' HE2' ' A' ' 77' ' ' MET . 3.2 t80 -40.46 -53.63 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 70' ' ' THR . 27.4 p -78.13 -48.99 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.484 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 4.9 m -60.81 -13.58 16.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 72' ' ' VAL . 78.2 mm-40 -110.55 -39.28 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.565 ' HE2' ' CD2' ' A' ' 73' ' ' PHE . 30.8 mtt -97.89 -58.37 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.37 12.45 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.484 ' HB3' ' C ' ' A' ' 75' ' ' SER . 1.8 p -97.93 -26.81 14.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.27 131.1 38.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.454 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 pm0 -66.78 -29.44 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.45 ' N ' ' HG2' ' A' ' 81' ' ' GLU . 40.2 m -69.67 -49.22 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.6 mm -63.42 -48.3 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 81' ' ' GLU . 35.6 m -63.0 -40.25 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -69.57 -48.98 58.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.614 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 2.0 t80 -64.73 -44.58 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' PHE . 11.0 tp -63.73 -41.51 98.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 p -73.4 -38.44 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -75.05 -61.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.614 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 9.7 m-80 -65.98 -48.67 70.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.554 ' CZ ' HD23 ' A' ' 163' ' ' LEU . 1.9 m-85 -108.68 175.13 5.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.1 mm -104.27 116.39 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.49 HG22 ' CD1' ' A' ' 35' ' ' PHE . 26.6 m -77.16 109.58 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.51 ' CH2' ' HB2' ' A' ' 40' ' ' LEU . 58.5 t90 -141.21 111.67 6.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.83 167.16 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -151.76 104.71 3.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.09 104.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -110.41 17.79 20.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.3 m -47.0 -48.02 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.6 151.97 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 102' ' ' SER . 40.3 m-20 -58.67 -58.06 10.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 101' ' ' ASP . 23.4 t -36.59 -53.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -71.17 -41.92 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -46.01 -55.19 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.15 75.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' A' ' 110' ' ' MET . 12.1 ttm180 -50.49 -41.13 52.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -69.43 -44.26 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.39 -50.61 72.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.9 m -61.07 -65.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.408 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 3.8 ppp? -46.4 -37.85 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.7 m -65.12 -60.49 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.42 ' HA ' ' C ' ' A' ' 116' ' ' GLY . 3.0 t30 -42.23 -29.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -74.31 -49.93 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -77.51 -65.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -75.98 -68.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.42 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 148.96 160.98 9.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.7 t -58.61 -44.69 89.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 31.4 m -44.91 -32.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.8 t -81.12 -45.59 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.05 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 122' ' ' THR . 6.1 tm0? -48.0 -51.03 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.48 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 36.9 m -45.74 -53.49 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.45 -43.85 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -57.6 -33.07 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.7 p -81.61 15.16 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -106.62 159.38 16.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -85.74 169.81 13.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 21.6 m -68.45 -55.42 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.3 OUTLIER -48.09 -47.8 34.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.827 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 129' ' ' ASP . 24.5 mt-30 -33.82 -44.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.505 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 14.0 m-85 -54.75 157.05 5.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.76 177.97 27.04 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.35 0.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.9 mt -128.01 110.42 12.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -95.69 119.37 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.48 133.06 52.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 37.2 mt -93.28 107.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.481 ' CD1' HG22 ' A' ' 146' ' ' VAL . 21.0 mm -102.73 102.03 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 21.3 ttp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.796 0.331 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -163.23 171.59 16.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.481 HG22 ' CD1' ' A' ' 137' ' ' ILE . 96.9 t -106.1 133.61 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 33.4 mt -97.91 -67.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . 0.64 ' ND2' HH11 ' A' ' 162' ' ' ARG . 36.0 m-20 -118.35 149.75 40.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 85.4 t -132.26 110.34 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 41.3 mt -96.67 117.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -49.63 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 163.1 -22.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -80.86 13.95 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.7 t -67.09 176.73 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 76.4 p -123.28 149.21 45.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 60.8 t -40.31 -50.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -51.04 -42.71 60.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -61.46 -39.86 92.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.0 -48.04 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.406 ' CE ' ' HA ' ' A' ' 160' ' ' MET . 6.2 mmt -47.54 -62.04 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -44.18 92.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.64 HH11 ' ND2' ' A' ' 148' ' ' ASN . 19.5 mmt180 -50.31 -45.22 54.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.554 HD23 ' CZ ' ' A' ' 91' ' ' PHE . 35.6 mt -75.18 -45.86 37.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 8.5 mmt -51.61 -57.72 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -47.5 -54.56 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -54.12 -60.52 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -46.05 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.02 -61.03 2.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 90.8 mt -39.79 -47.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 170' ' ' PHE . 5.4 t80 -44.64 -60.58 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.05 -63.16 4.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -62.3 -47.1 85.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.55 -48.79 48.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' LEU . 30.2 mt -61.63 -54.21 45.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' LEU . 11.1 mt -33.56 -45.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.3 -56.06 17.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -54.23 -50.75 66.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.56 HG22 ' CD2' ' A' ' 35' ' ' PHE . 40.6 p -58.37 -45.45 88.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.53 -57.43 11.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -56.18 -42.88 77.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 t80 -58.3 -44.48 88.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 29' ' ' GLY . 12.8 t -48.27 -64.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -66.13 -49.3 67.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -39.62 -58.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -90.71 -64.34 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -175.15 147.63 9.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -51.17 -45.1 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.1 m -62.71 114.58 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -167.54 154.54 7.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.1 22.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 p -56.17 120.83 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 21' ' ' THR . 64.7 m-85 -95.64 122.29 38.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.12 117.41 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.7 109.26 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.05 -146.09 12.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -117.45 143.44 46.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 20.9 tp -43.71 -41.54 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -46.41 -53.33 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.94 88.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.31 -45.3 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -53.43 -40.16 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -68.56 -54.72 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' C ' ' HB ' ' A' ' 50' ' ' VAL . 15.7 tp10 -64.87 -3.68 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.93 -61.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.457 ' C ' ' H ' ' A' ' 50' ' ' VAL . 34.7 m-85 -98.03 -49.44 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -76.57 17.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.457 ' H ' ' C ' ' A' ' 48' ' ' PHE . 12.8 p -78.76 -45.48 25.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 54' ' ' ASP . 46.6 mmtt -149.29 178.0 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.37 -34.07 12.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -115.5 -24.44 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.446 ' HB2' ' CB ' ' A' ' 51' ' ' LYS . 2.1 m-20 -89.14 17.98 5.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 29.2 mtt180 -52.09 111.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 24.5 mtmm -95.66 178.73 5.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 25.0 mt -111.92 150.59 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.7 tp -104.91 152.78 22.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.552 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -148.18 118.17 7.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.18 141.43 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 132' ' ' PRO . 46.0 t80 -131.5 105.06 7.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.9 mt -85.74 113.14 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -87.27 135.78 33.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 5.1 t-80 -140.18 123.56 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' GLU . 6.7 t0 -72.39 -61.33 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.5 mt-10 -33.7 -45.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 t -52.96 156.11 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.1 m -103.7 -27.33 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 12.7 mt -74.79 -17.66 60.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' VAL . 39.9 m -75.92 -65.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 70' ' ' THR . 0.5 OUTLIER -34.31 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' THR . 34.5 m -96.01 -44.23 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 18.1 t80 -65.6 -10.91 39.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 32.0 p -93.28 -38.16 11.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 m -98.01 -15.36 20.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.3 mm-40 -98.56 -57.58 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.57 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -79.67 -71.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.497 HD12 ' CZ ' ' A' ' 61' ' ' TYR . 11.1 mt -41.57 -24.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -82.51 17.98 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -78.76 102.17 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.92 -36.72 49.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -70.17 -40.35 74.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' SER . 55.8 mt -73.76 -67.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ILE . 17.4 m -36.93 -30.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' ILE . 28.5 t -79.59 -54.8 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 2.8 t80 -71.21 -56.18 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' PHE . 17.1 tp -43.96 -32.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.0 m -92.49 -44.6 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -65.92 -60.04 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.46 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 5.2 m-80 -76.38 -46.92 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 3.4 m-85 -104.6 170.55 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -103.66 113.42 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.2 m -80.06 127.83 32.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 72.9 t90 -150.59 114.84 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.07 159.7 16.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -149.75 123.25 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.66 104.24 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' THR . 1.4 pt? -111.59 14.62 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' LEU . 54.5 m -37.34 -68.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -63.54 158.42 21.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -65.16 -50.49 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.2 m -39.22 -41.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -78.89 -55.2 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -39.8 -52.06 2.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -53.39 -57.27 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' ALA . 25.8 mtt-85 -37.74 -59.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.446 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 90.9 t80 -46.43 -50.08 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.26 -43.53 87.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -62.8 -59.94 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 8.1 ptp -56.58 -37.19 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 110' ' ' MET . 34.3 m -65.84 -48.69 70.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -43.06 -35.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -91.11 -60.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -48.07 -62.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 137' ' ' ILE . 49.4 m-85 -90.92 -65.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 155.42 176.2 27.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.5 m -76.97 -30.2 55.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.798 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.61 -58.76 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.0 m -56.18 -40.27 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 121' ' ' GLN . . . -51.71 -60.06 3.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.457 ' NE2' HG23 ' A' ' 125' ' ' THR . 14.3 tm0? -37.7 -59.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.9 m -48.68 -45.12 38.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.0 mm -56.94 -37.48 54.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -64.29 -46.36 83.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.457 HG23 ' NE2' ' A' ' 121' ' ' GLN . 71.9 p -66.49 -41.72 88.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -52.75 104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -64.54 172.95 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 129' ' ' ASP . 49.2 m -58.63 -59.37 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.7 OUTLIER -35.55 -54.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' ASP . 30.7 mm-40 -37.23 -45.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.521 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 39.1 m-85 -54.85 155.81 7.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.554 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 53.9 Cg_endo -69.8 135.08 32.11 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.347 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.6 mt -87.81 102.7 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.552 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -95.84 119.06 33.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 mp -121.0 136.91 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 79.9 mt -98.8 119.36 46.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.448 HD13 ' CE1' ' A' ' 115' ' ' PHE . 42.1 mm -97.79 140.59 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.3 ttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.893 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -154.91 157.07 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 48.4 t -88.08 111.85 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.27 -60.37 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -116.81 152.99 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 99.1 t -131.69 110.65 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.446 ' CG2' HG22 ' A' ' 154' ' ' THR . 27.3 mt -100.08 120.38 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.1 -61.79 2.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 151.72 -20.02 0.89 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -82.07 14.04 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' THR . . . . . 0.446 HG22 ' CG2' ' A' ' 150' ' ' ILE . 13.8 t -80.35 168.12 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.8 p -89.96 144.56 25.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.491 ' CG2' ' SD ' ' A' ' 77' ' ' MET . 65.6 t -43.02 -51.93 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -49.56 -55.17 14.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -42.93 -52.6 5.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.77 -51.21 58.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -48.55 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 30.0 mtp -63.91 -54.06 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -40.27 -58.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 85.9 mt -49.31 -56.55 9.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.3 mmm -53.69 -41.77 67.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.55 84.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.9 81.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 168' ' ' GLU . 6.0 mmm -69.66 -67.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 10.9 pt-20 -37.56 -42.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.465 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 91.6 mt -68.67 -46.36 79.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -48.86 -54.93 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' GLY . 35.0 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.924 0.393 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.4 -59.04 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -45.2 95.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.88 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LEU . 99.1 mt -60.15 -57.82 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 mt -33.84 -56.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -51.81 -50.3 61.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.68 -57.14 13.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.6 p -50.57 -42.59 55.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.178 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.93 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' PHE . 17.9 mm-40 -59.02 -61.14 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' GLU . 11.7 t80 -36.09 -58.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -39.8 -50.77 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -71.95 -43.54 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -41.16 -57.24 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.467 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 23.1 m-85 -97.85 -63.34 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.92 151.79 10.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.555 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -50.01 -43.47 50.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.02 107.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -167.11 156.01 9.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.449 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.72 129.29 17.37 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.8 t -53.55 102.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.554 ' CD1' HG23 ' A' ' 93' ' ' THR . 54.6 m-85 -78.11 130.73 36.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -70.44 129.2 38.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.63 116.5 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.83 -148.58 19.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.3 m -110.48 148.72 31.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 tp -43.62 -44.54 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -43.85 -51.48 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.03 -18.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -87.84 -51.71 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.507 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.23 -41.31 94.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 45' ' ' GLN . 17.2 tp10 -61.58 -7.6 3.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.424 ' C ' HG23 ' A' ' 50' ' ' VAL . . . -117.5 -37.97 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 138' ' ' MET . 1.7 m-85 -97.6 -64.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.507 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 4.8 m-85 -43.29 -37.51 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.469 ' CG2' ' H ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -33.76 -76.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' H ' ' CG2' ' A' ' 50' ' ' VAL . 1.5 mmmp? -157.18 133.54 9.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.424 ' O ' ' NE ' ' A' ' 55' ' ' ARG . . . -50.65 -20.52 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -98.28 -46.72 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.08 17.9 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 52' ' ' ALA . 13.1 mtm180 -53.54 141.23 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -128.02 175.86 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 28.9 mt -117.23 146.2 43.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.2 tp -104.41 146.87 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.513 ' HB3' ' CE1' ' A' ' 134' ' ' PHE . . . -136.14 105.62 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.446 ' CD1' HD11 ' A' ' 137' ' ' ILE . 5.0 mp -70.25 119.53 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.526 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 11.5 t80 -104.13 106.66 17.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 44.2 mt -84.53 119.82 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -99.31 113.17 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 4.9 t-80 -124.27 116.17 22.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' GLU . 6.0 t70 -63.17 -56.84 13.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 25.8 mt-10 -34.49 -39.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.2 t -61.46 150.7 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 69' ' ' LEU . 33.4 m -92.33 -36.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' N ' HG22 ' A' ' 68' ' ' VAL . 25.2 mt -63.57 -46.58 85.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.466 ' CA ' ' HD3' ' A' ' 132' ' ' PRO . 34.1 m -46.36 -29.2 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -61.48 -65.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' GLN . 10.6 m -69.76 -46.31 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 4.6 t80 -54.31 -14.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.467 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 34.6 t -83.42 -48.51 10.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.414 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 97.5 p -97.37 -1.98 43.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' VAL . 54.9 mm-40 -105.3 -51.29 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.549 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -91.41 -68.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.526 HD13 ' CZ ' ' A' ' 61' ' ' TYR . 14.7 mt -44.0 -40.41 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.1 m -64.89 -32.16 73.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -52.06 113.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 3.9 mm-40 -63.86 -40.2 96.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m -52.63 -26.75 14.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 85' ' ' SER . 49.2 mm -90.53 -67.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 32.9 m -45.61 -20.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 83' ' ' ILE . 14.6 m -75.34 -59.35 2.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CE1' ' CB ' ' A' ' 90' ' ' ASN . 13.8 t80 -70.9 -44.47 66.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' PHE . 17.5 tp -57.16 -35.17 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.0 t -86.8 -42.8 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -69.92 -61.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.562 ' CB ' ' CE1' ' A' ' 86' ' ' TYR . 10.0 m-80 -72.24 -48.93 39.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 2.8 m-85 -104.42 175.59 5.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.2 mm -109.81 109.23 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.554 HG23 ' CD1' ' A' ' 35' ' ' PHE . 48.3 m -71.19 131.9 44.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -148.0 126.43 12.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' A' ' 35' ' ' PHE . . . -115.17 143.35 45.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -143.3 102.79 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -66.86 109.05 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -116.08 16.62 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.0 m -47.38 -45.33 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -82.2 132.4 35.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -42.46 -44.09 3.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.5 m -40.63 -57.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -71.42 -45.15 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.96 -55.3 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.15 -53.18 56.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -46.91 -48.36 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.556 ' CZ ' HD22 ' A' ' 62' ' ' LEU . 48.1 t80 -59.5 -36.11 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.8 mt -74.35 -35.06 63.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.3 m -67.64 -50.16 59.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 23.0 ptp -65.74 -43.27 89.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 110' ' ' MET . 1.6 t -66.42 -39.05 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -55.01 -33.36 62.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -94.39 -65.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -39.43 -67.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.56 ' CE1' HG12 ' A' ' 137' ' ' ILE . 26.5 m-85 -88.02 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.31 169.34 25.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.7 m -69.27 -52.28 29.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.0 t -42.31 -58.28 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.9 t -47.76 -65.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.71 -44.35 27.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -54.15 -44.46 71.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.2 m -50.12 -43.86 51.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.6 mt -70.62 -30.38 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.9 ttt-85 -71.39 -50.75 28.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.1 t -69.55 -24.62 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.416 ' CD ' ' HG3' ' A' ' 130' ' ' GLN . 6.7 mm100 -62.84 157.59 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -87.01 145.42 26.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 91.3 m -49.95 -38.7 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 130' ' ' GLN . 0.5 OUTLIER -51.04 -49.46 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 29.9 mm-40 -36.66 -46.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.521 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 61.5 m-85 -52.48 154.77 4.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.2 Cg_endo -69.67 132.1 21.14 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.349 -0.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.8 mt -89.19 102.14 14.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 3.0 t80 -94.98 116.14 28.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.435 ' N ' HD13 ' A' ' 135' ' ' LEU . 4.7 mp -115.03 162.76 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.462 HG21 ' N ' ' A' ' 137' ' ' ILE . 38.8 mt -130.2 142.53 43.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.56 HG12 ' CE1' ' A' ' 115' ' ' PHE . 4.7 mp -134.88 138.27 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.505 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 2.7 tmm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.801 0.334 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -140.37 158.56 43.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.3 t -90.57 136.76 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 147' ' ' LEU . 4.0 mm? -97.86 -66.72 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -122.16 144.48 48.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.0 108.89 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 47.0 mt -103.51 125.05 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 132' ' ' PRO . 24.9 mp0 -54.72 -63.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 152.92 -23.36 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -81.25 10.61 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.9 t -70.99 165.67 22.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 156' ' ' VAL . 76.4 p -88.04 133.9 33.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 155' ' ' THR . 10.9 p -36.17 -42.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.34 -52.43 65.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -43.41 -40.19 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.3 mt -58.96 -45.33 90.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.78 -58.71 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.4 ptm -64.5 -49.75 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -43.72 -47.74 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.46 -48.98 79.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.9 mtm -51.65 -53.85 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -44.1 -54.32 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -48.09 -42.8 29.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 11.8 mtp -60.83 -57.38 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -54.74 -48.68 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.24 -36.01 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -63.97 -61.24 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.195 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.924 0.392 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.31 -50.49 40.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.57 -47.93 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.89 88.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.19 -35.57 79.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.08 -39.69 82.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -73.09 -46.54 50.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -61.59 -40.97 96.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.429 HG22 ' CD2' ' A' ' 35' ' ' PHE . 24.6 p -66.38 -60.36 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.34 -50.84 28.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.16 -53.76 44.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CE1' ' CD1' ' A' ' 28' ' ' TYR . 63.6 t80 -45.72 -64.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 t -53.22 -42.95 66.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -51.88 -32.65 33.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 2.8 ttm180 -95.9 -63.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 24' ' ' PHE . 29.0 m-85 -56.44 -61.49 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.31 166.94 21.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.44 -49.18 72.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.9 m -52.34 111.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -167.25 153.63 7.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.403 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 53.4 Cg_endo -69.75 126.69 13.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.9 t -53.16 102.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' A' ' 21' ' ' THR . 72.3 m-85 -74.62 134.35 42.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -74.15 110.66 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.6 mm -70.27 102.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.97 -173.02 44.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.3 t -89.71 151.33 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.969 0.414 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.497 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 54.2 tp -43.61 -33.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 41' ' ' GLU . 4.8 tp10 -76.42 -44.9 33.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.06 -36.73 75.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.45 82.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.532 ' CE1' HD21 ' A' ' 58' ' ' LEU . 16.8 m-85 -47.71 -37.15 12.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' HG2' ' CG ' ' A' ' 49' ' ' TYR . 48.0 mt-30 -57.18 -60.52 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.01 -17.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.47 -57.25 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -97.0 -67.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.463 ' CG ' ' HG2' ' A' ' 45' ' ' GLN . 23.0 m-85 -37.94 -32.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 55' ' ' ARG . 4.5 p -51.94 167.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.17 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -53.3 163.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HA ' ' NH1' ' A' ' 55' ' ' ARG . . . -65.16 -43.21 92.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -75.7 -39.75 56.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -79.53 12.27 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.452 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 59.6 mtm-85 -55.06 148.73 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -153.82 171.65 18.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' A' ' 91' ' ' PHE . 90.7 mt -113.38 153.0 29.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.532 HD21 ' CE1' ' A' ' 44' ' ' PHE . 31.0 tp -104.54 123.09 46.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.444 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -114.57 105.73 13.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.4 mm -70.12 139.17 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.502 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 1.8 t80 -134.66 115.74 14.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 HD22 ' CE2' ' A' ' 107' ' ' PHE . 74.6 mt -93.15 118.59 31.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -100.58 132.19 46.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.416 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 12.3 t-80 -136.64 108.2 6.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.2 m-20 -53.32 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' ASP . 26.2 mt-10 -34.72 -41.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -58.08 147.97 27.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.46 -25.46 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.8 mt -70.38 -23.81 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -35.1 78.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.12 -48.08 71.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 75' ' ' SER . 20.5 m -91.09 -53.34 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 1.7 t80 -43.05 -30.98 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.456 ' CB ' HD11 ' A' ' 78' ' ' LEU . 52.1 m -96.43 -14.42 22.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 72' ' ' VAL . 36.7 t -95.91 -18.65 20.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.542 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -110.0 -42.13 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.628 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 17.0 mtt -84.58 -61.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 61' ' ' TYR . 34.9 mt -65.6 -42.01 92.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.446 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.6 m -81.31 17.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 77' ' ' MET . . . -91.99 110.61 21.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.52 -28.85 65.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 p -74.57 -51.62 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.4 mm -59.73 -59.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 85' ' ' SER . 15.4 m -49.96 -42.21 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.448 ' N ' HG23 ' A' ' 84' ' ' VAL . 4.4 m -54.6 -43.14 71.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.631 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 14.1 t80 -89.22 -65.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 91' ' ' PHE . 11.1 tp -35.83 -40.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -79.19 -48.77 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.59 -61.44 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.631 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 9.0 m-80 -72.82 -61.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.514 ' CE2' HD13 ' A' ' 57' ' ' LEU . 3.4 m-85 -91.31 178.58 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mm -110.18 130.62 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.403 ' CG2' ' HB2' ' A' ' 33' ' ' PRO . 59.2 m -83.19 125.62 31.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.497 ' CZ3' HD11 ' A' ' 40' ' ' LEU . 10.0 t90 -150.34 111.77 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.14 158.9 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -151.17 119.06 6.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -78.41 131.33 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.6 mp -118.07 8.31 12.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.1 m -50.59 -43.31 56.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 34.2 mtmt -82.09 126.26 31.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.43 -55.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 m -42.46 -45.01 4.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' A' ' 100' ' ' LYS . 74.8 m-20 -60.94 -56.31 22.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 103' ' ' ASN . 13.0 mtp180 -34.34 -62.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.62 -50.22 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -40.17 -67.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.458 ' CE2' HD22 ' A' ' 62' ' ' LEU . 20.2 t80 -52.2 -51.79 56.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -43.06 -57.59 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 98.6 m -52.16 -47.68 65.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 18.1 mtm -56.87 -48.33 78.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.27 -45.31 92.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -49.49 -37.21 25.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -89.27 -66.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -40.98 -63.36 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.543 ' CE1' HG12 ' A' ' 137' ' ' ILE . 17.1 m-85 -92.51 -66.21 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.4 155.59 8.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.9 t -61.11 -47.63 85.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.3 t -47.45 -52.28 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.6 -60.6 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -41.22 -57.42 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -47.13 -46.2 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.8 m -45.81 -29.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 81.0 mt -87.72 -39.66 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -62.47 -42.04 99.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.6 t -68.13 -29.73 68.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -58.95 151.51 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -77.07 176.64 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 129' ' ' ASP . 84.8 m -76.44 -62.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 128' ' ' THR . 2.4 p-10 -37.32 -49.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.407 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 51.0 mm-40 -38.42 -45.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.494 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 12.0 m-85 -52.06 158.75 1.67 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.2 Cg_endo -69.79 -178.46 16.82 Favored 'Cis proline' 0 C--O 1.232 0.216 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.375 0.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.416 HD13 ' CE1' ' A' ' 131' ' ' PHE . 36.1 mt -132.7 120.26 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.444 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -112.89 112.68 24.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 135' ' ' LEU . 3.3 mp -109.17 162.84 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 43.9 mt -129.91 108.89 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.543 HG12 ' CE1' ' A' ' 115' ' ' PHE . 3.3 mp -96.02 126.25 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.0 tmm? . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -163.48 157.1 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.49 122.17 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.9 mp -85.91 -56.39 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -111.43 146.24 37.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 94.8 t -131.56 113.81 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 151' ' ' GLN . 47.1 mt -102.36 138.73 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 132' ' ' PRO . 36.5 mt-30 -74.96 -56.84 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 149.93 -21.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -81.52 13.22 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 11.6 t -74.36 172.96 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 42.4 p -105.51 139.12 40.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.8 p -40.91 -34.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.49 -47.19 76.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -49.23 -43.84 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 77.3 mt -47.27 -58.86 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 42.5 tpp -43.89 -48.14 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 17.8 mtt -63.93 -44.01 94.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -56.75 -41.18 77.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.405 HD21 ' CD2' ' A' ' 91' ' ' PHE . 19.5 mt -67.83 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 59.0 mtp -46.07 -47.27 17.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.17 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.0 75.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 14.6 mtp -70.45 -58.44 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 6.9 pt-20 -50.28 -34.53 23.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.412 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 59.8 mt -74.69 -49.65 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -41.6 -63.57 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.35 -62.12 6.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.76 -44.38 77.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.62 -45.9 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' PHE . 49.1 mt -67.85 -58.71 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 17' ' ' LEU . 5.5 mt -34.31 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -64.48 -43.98 92.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.6 t80 -63.13 -43.72 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.9 p -67.27 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.12 -45.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -77.79 -42.92 32.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 28' ' ' TYR . 83.2 t80 -37.76 -39.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' GLY . 2.3 p -72.99 -61.34 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -42.09 -34.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 17.4 ptp180 -83.89 -49.47 8.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.486 ' CD2' ' CE1' ' A' ' 24' ' ' PHE . 31.4 m-85 -95.66 -67.68 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 172.47 152.68 8.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -51.86 -45.1 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.64 111.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -167.05 152.67 7.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.535 0.683 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 131.09 20.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -53.97 107.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.464 ' CD1' HG22 ' A' ' 93' ' ' THR . 75.0 m-85 -82.88 125.83 31.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -58.94 108.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.8 mm -73.36 103.17 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.98 -167.39 35.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 t -91.66 145.24 24.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.551 HD12 ' CZ3' ' A' ' 94' ' ' TRP . 10.8 tp -45.79 -41.2 10.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -41.31 -50.84 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -68.01 -53.79 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.41 -24.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CE2' ' HG ' ' A' ' 40' ' ' LEU . 51.9 m-85 -74.34 -55.83 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.41 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 4.6 pt20 -63.81 -42.64 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 7.3 tt0 -62.91 -6.36 3.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.512 ' O ' ' CG2' ' A' ' 50' ' ' VAL . . . -97.93 -60.99 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 56' ' ' LYS . 32.8 m-85 -96.85 -65.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' VAL . 30.4 m-85 -35.76 -38.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -32.15 -73.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HG2' ' C ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -156.47 132.8 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.44 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . . . -49.81 -15.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -97.87 -48.09 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -84.49 16.71 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 52' ' ' ALA . 36.2 mtt180 -55.79 102.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.548 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 65.7 mttm -94.08 179.02 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 69.8 mt -111.02 151.35 28.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.537 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 19.4 tp -104.84 140.43 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -140.43 109.15 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 61' ' ' TYR . 4.5 mp -76.37 131.68 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CE1' ' CE1' ' A' ' 73' ' ' PHE . 39.3 t80 -118.88 103.41 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.2 mt -79.63 117.58 20.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -97.81 116.61 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 12.8 t-80 -117.54 103.27 9.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.9 t0 -54.21 -59.39 4.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.519 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 27.3 mm-40 -34.01 -45.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.1 t -58.43 149.4 25.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.62 -22.3 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 12.7 mt -71.41 -21.18 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.418 ' CG2' ' HD3' ' A' ' 132' ' ' PRO . 0.7 OUTLIER -62.36 -50.29 72.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -43.11 -63.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 76' ' ' GLN . 19.2 m -70.11 -45.26 76.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 1.9 t80 -45.07 -52.03 9.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.489 ' CB ' HD13 ' A' ' 78' ' ' LEU . 28.2 p -78.0 -36.04 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.427 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 26.9 t -71.57 -15.69 62.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' VAL . 57.0 mm-40 -110.68 -37.91 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.694 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 29.6 mtt -91.72 -55.14 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.489 HD13 ' CB ' ' A' ' 74' ' ' CYS . 96.1 mt -76.94 16.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.428 ' H ' ' C ' ' A' ' 77' ' ' MET . 1.3 m -112.27 -22.34 10.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.37 129.14 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 82' ' ' SER . 14.4 pt-20 -65.72 -45.28 83.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 71.9 m -64.72 -41.21 96.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.458 HD11 ' CE ' ' A' ' 160' ' ' MET . 26.4 mm -62.44 -51.09 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -65.89 -35.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -68.77 -46.99 67.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.533 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 4.2 t80 -72.23 -52.2 17.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.46 -31.37 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.5 p -85.82 -41.98 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.504 ' O ' ' CE ' ' A' ' 56' ' ' LYS . 13.3 mm-40 -75.42 -61.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.533 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 2.0 m-80 -66.61 -43.49 84.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 3.0 m-85 -114.1 171.69 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -101.12 114.94 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.464 HG22 ' CD1' ' A' ' 35' ' ' PHE . 90.2 m -73.75 125.83 28.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.551 ' CZ3' HD12 ' A' ' 40' ' ' LEU . 32.0 t90 -151.69 103.61 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.44 150.83 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -142.76 136.7 29.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.89 125.47 41.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.3 mp -115.27 3.29 14.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.9 m -42.82 -44.28 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -91.6 143.69 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -52.1 -58.91 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.3 m -37.29 -47.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -74.71 -47.44 31.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -53.24 -64.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.49 -47.61 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.4 mtp85 -48.76 -55.48 11.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -54.09 -46.23 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.09 -34.59 77.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.7 m -71.92 -49.48 37.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.2 ptm -70.99 -30.09 66.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.56 -45.46 30.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -49.45 -34.06 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' HIS . 57.3 mtt180 -94.73 -68.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' ARG . 12.2 m170 -37.85 -61.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -89.64 -60.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.49 164.91 14.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 97.2 p -70.39 -45.38 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.824 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.64 -44.8 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.36 -53.69 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.93 -50.76 72.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -52.15 -45.84 65.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 88.8 m -53.03 -43.15 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 133' ' ' LEU . 94.1 mt -68.97 -36.88 76.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.65 96.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.9 p -66.43 -38.2 86.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -52.33 130.22 30.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -56.34 173.74 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 95.2 m -69.72 -60.47 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.3 OUTLIER -40.12 -47.67 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 129' ' ' ASP . 24.2 mm-40 -33.81 -48.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 64' ' ' HIS . 17.2 m-85 -52.12 158.52 1.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.575 ' HG2' ' CE2' ' A' ' 73' ' ' PHE . 53.8 Cg_endo -69.71 167.69 70.0 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.366 0.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 123' ' ' ILE . 12.8 mt -119.81 102.28 8.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -95.47 120.13 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.21 167.53 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.41 ' C ' HD13 ' A' ' 137' ' ' ILE . 68.3 mt -133.93 139.99 47.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.431 HG21 ' CG ' ' A' ' 144' ' ' ASN . 4.7 mp -140.02 134.02 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.475 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 13.9 ptt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.431 ' CG ' HG21 ' A' ' 137' ' ' ILE . 28.9 t-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -145.13 147.92 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 74.6 t -80.39 117.07 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.7 mp -78.09 -59.91 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -126.08 154.81 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 98.5 t -127.95 115.44 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.472 ' CG2' ' HB ' ' A' ' 154' ' ' THR . 18.2 mt -100.94 117.91 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.62 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 158.77 -19.17 0.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -80.24 6.83 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' THR . . . . . 0.472 ' HB ' ' CG2' ' A' ' 150' ' ' ILE . 3.1 t -61.14 176.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 10.8 p -118.78 151.97 37.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 157' ' ' ASP . 10.6 p -48.04 -45.4 12.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 156' ' ' VAL . 24.0 m-20 -59.12 -45.76 90.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -51.11 -50.64 58.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 77' ' ' MET . 84.5 mt -39.63 -61.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.458 ' CE ' HD11 ' A' ' 83' ' ' ILE . 32.2 tpp -47.18 -48.19 23.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.2 mtt -59.63 -49.88 76.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -56.72 -46.32 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.496 HD22 ' CE2' ' A' ' 91' ' ' PHE . 31.8 mt -64.82 -56.41 13.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 5.6 mmt -46.0 -59.49 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -48.3 -45.21 34.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.96 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 76.3 mmm -69.44 -62.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 9.0 pt-20 -50.69 -41.73 56.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.465 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 54.7 mt -66.95 -46.29 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -45.39 -66.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' OE2' ' CH2' ' A' ' 96' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.844 0.355 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.75 -57.87 2.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.43 -55.07 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.87 -53.65 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 mt -59.21 -51.47 69.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' CD2' HD12 ' A' ' 37' ' ' ILE . 6.2 mt -38.13 -51.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.44 -64.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HE2' ' CE2' ' A' ' 35' ' ' PHE . 3.7 t80 -45.3 -35.46 3.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -68.03 -67.19 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.97 -41.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' PHE . 68.5 mm-40 -75.97 -61.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' GLU . 53.1 t80 -36.31 -51.96 0.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.418 ' HB2' ' NE2' ' A' ' 32' ' ' HIS . 10.7 t -70.37 -53.14 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -56.55 -18.14 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.561 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -97.96 -63.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 27' ' ' ARG . 50.1 m-85 -66.4 -67.78 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.66 -168.67 41.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -103.03 -11.47 18.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.9 m -80.37 17.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.419 ' HB2' ' HD2' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -95.36 158.5 34.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 110.9 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.485 ' HG3' ' CD2' ' A' ' 78' ' ' LEU . 53.6 Cg_endo -69.75 104.02 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.3 t -52.74 105.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 95' ' ' ALA . 25.2 m-85 -63.99 154.8 33.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -91.14 120.38 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.418 HD12 ' CD2' ' A' ' 18' ' ' LEU . 32.2 mm -68.43 112.32 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.77 -172.89 32.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 p -92.09 168.56 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.56 ' CD1' ' CZ3' ' A' ' 94' ' ' TRP . 20.4 tp -69.9 -48.88 56.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -48.99 -36.49 17.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -74.05 -55.04 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -33.6 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 99.5 m-85 -60.77 -54.73 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' ALA . 10.7 pt20 -60.59 -23.92 65.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -78.95 -9.23 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.59 -36.93 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -97.81 -57.85 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -77.99 11.39 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.434 ' CG1' ' HA ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -79.0 161.55 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -52.18 140.38 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.38 -36.34 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -78.28 -40.67 36.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.51 15.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 16.8 mtt180 -52.88 134.14 37.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -155.62 177.39 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' A' ' 91' ' ' PHE . 21.1 mt -112.06 168.52 9.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 37.5 tp -106.95 131.87 53.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.18 107.38 7.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.443 HG21 ' N ' ' A' ' 61' ' ' TYR . 41.5 mt -90.72 136.57 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.443 ' N ' HG21 ' A' ' 60' ' ' ILE . 10.7 t80 -128.58 123.1 32.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.57 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 88.9 mt -91.2 123.22 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -107.5 119.47 39.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 14.1 t-80 -127.33 117.01 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' GLU . 84.3 m-20 -62.2 -58.69 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 49.4 mt-10 -37.64 -42.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -52.74 146.53 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 69' ' ' LEU . 35.3 m -89.13 -41.35 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' N ' HG22 ' A' ' 68' ' ' VAL . 23.1 mt -61.03 -47.44 86.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.45 ' CA ' ' HD3' ' A' ' 132' ' ' PRO . 22.7 m -46.32 -41.89 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -49.78 -60.26 3.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 73' ' ' PHE . 29.8 m -71.25 -50.01 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.504 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 12.1 t80 -53.98 -15.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 3.0 m -79.8 -53.35 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.422 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 18.7 m -92.54 -8.08 45.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.813 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 51.5 mm-40 -98.37 -55.91 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -89.96 -70.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.485 ' CD2' ' HG3' ' A' ' 33' ' ' PRO . 11.3 mt -40.61 -23.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -81.64 17.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -82.15 102.01 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.72 -59.13 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -48.56 -33.51 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.447 HD13 ' CB ' ' A' ' 80' ' ' ALA . 69.0 mt -79.03 -71.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' ILE . 32.8 m -36.58 -32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 83' ' ' ILE . 37.9 m -70.57 -50.54 36.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.502 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 10.2 t80 -72.02 -48.51 44.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 91' ' ' PHE . 8.2 tp -57.69 -34.62 69.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.405 ' HG ' ' N ' ' A' ' 89' ' ' GLN . 81.3 p -83.23 -41.97 17.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.405 ' N ' ' HG ' ' A' ' 88' ' ' SER . 63.1 mm-40 -74.06 -61.63 1.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.502 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 15.2 m-80 -68.18 -54.58 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -98.92 174.53 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.3 mm -100.05 127.9 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.2 m -86.33 124.09 32.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.56 ' CZ3' ' CD1' ' A' ' 40' ' ' LEU . 12.5 t90 -152.58 113.3 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.561 ' HB3' ' CE1' ' A' ' 35' ' ' PHE . . . -112.04 171.0 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.062 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.473 ' CH2' ' OE2' ' A' ' 13' ' ' GLU . 71.7 t-105 -157.69 123.36 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -86.11 123.42 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.01 10.3 18.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.2 m -50.19 -46.13 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -83.65 126.27 32.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -39.49 -42.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -53.41 -55.67 23.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -63.12 -45.5 91.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -39.1 -49.03 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -67.07 -49.02 66.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 105' ' ' ALA . 47.9 mmt-85 -34.6 -59.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.57 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 33.2 t80 -51.47 -45.4 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' ALA . 72.2 mt -62.41 -47.05 85.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.5 m -57.75 -56.2 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.437 ' O ' ' CD2' ' A' ' 114' ' ' HIS . 22.4 ptp -60.89 -40.03 91.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.8 m -66.52 -38.89 88.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 112' ' ' ASN . 0.5 OUTLIER -48.25 -37.22 15.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 113' ' ' ARG . 1.7 mmp_? -95.49 -53.22 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 110' ' ' MET . 52.8 m-70 -40.39 -68.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CE1' HG12 ' A' ' 137' ' ' ILE . 16.9 m-85 -95.96 -45.57 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 142.06 165.48 10.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.1 m -62.42 -49.34 75.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.8 m -48.63 -36.37 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.6 t -73.59 -55.99 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.08 -47.51 22.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -57.74 -43.75 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 33.0 m -43.93 -43.56 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 86.6 mt -77.05 -42.1 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -48.43 -39.6 23.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 73.4 p -68.01 -38.77 82.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.435 ' OE1' ' NE2' ' A' ' 130' ' ' GLN . 31.2 mm-40 -54.48 124.0 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -63.75 175.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -63.18 -54.24 40.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' GLN . 6.6 m-20 -43.88 -47.29 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.435 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 17.8 mm-40 -36.12 -47.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.517 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 64.4 m-85 -53.68 155.64 5.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.8 Cg_endo -69.67 -176.18 12.08 Favored 'Cis proline' 0 C--O 1.233 0.229 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.368 -0.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.2 mt -144.32 106.81 4.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' A' ' 61' ' ' TYR . 3.4 t80 -101.71 115.53 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.9 mp -115.15 158.56 22.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.405 HD11 ' ND2' ' A' ' 148' ' ' ASN . 83.6 mt -131.4 113.52 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.542 HG12 ' CE1' ' A' ' 115' ' ' PHE . 5.1 mp -105.78 104.34 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 27.8 ttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.2 p30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.784 0.326 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -167.77 163.68 14.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.2 t -80.23 115.43 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.9 mp -89.24 -59.66 2.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . 0.405 ' ND2' HD11 ' A' ' 136' ' ' ILE . 1.6 p-10 -109.73 146.78 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.07 102.44 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 50.6 mt -98.35 138.4 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 132' ' ' PRO . 11.8 mm-40 -92.53 -37.97 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 134.27 -29.6 3.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 0.9 OUTLIER -67.75 -2.88 7.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.1 t -65.13 165.41 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 156' ' ' VAL . 30.9 p -93.73 141.84 28.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 155' ' ' THR . 88.7 t -36.86 -45.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 158' ' ' GLU . 3.5 t0 -61.75 -59.05 5.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 157' ' ' ASP . 7.3 mt-10 -38.04 -47.89 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 25.9 mt -45.65 -58.15 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 16.9 ttm -51.17 -54.59 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 162' ' ' ARG . 7.5 mtt -43.09 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 161' ' ' MET . 10.9 mmp_? -36.41 -56.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.404 HD23 ' CD2' ' A' ' 91' ' ' PHE . 19.1 mt -56.87 -55.76 30.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 35.2 mtp -48.29 -38.96 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.5 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.42 -46.02 67.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -54.89 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 7.7 pt-20 -51.2 -33.24 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.404 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 84.6 mt -79.02 -37.76 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -55.61 -59.45 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' OE1' ' CH2' ' A' ' 96' ' ' TRP . 0.7 OUTLIER . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.49 -64.39 3.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -43.1 -45.94 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.02 11.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.4 mt -49.3 -53.17 23.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mt -39.4 -48.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.7 -54.78 41.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -53.33 -48.28 68.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.1 m -53.89 -50.94 65.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 24' ' ' PHE . 8.1 pt-20 -52.54 -37.35 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.451 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 28.5 t80 -57.37 -39.04 75.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.7 t -45.09 -44.93 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.3 t -91.41 -40.34 11.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.543 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -39.08 -59.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.543 ' CE2' ' HD2' ' A' ' 27' ' ' ARG . 62.1 m-85 -116.67 -37.92 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.5 173.21 20.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 m-20 -69.28 -37.32 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.311 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.7 m -52.04 103.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.453 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 2.5 p80 -168.24 152.01 5.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 136.37 32.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -52.04 102.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -75.72 129.21 36.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 5.8 t80 -71.85 127.79 33.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.6 mm -89.65 105.93 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.02 -171.64 33.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 40' ' ' LEU . 78.0 p -92.94 142.18 27.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.953 0.406 . . . . 0.0 110.857 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.561 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 13.5 tp -34.4 -41.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 17.2 mt-10 -36.73 -51.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . -62.53 -56.1 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.091 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.64 -37.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -61.99 -60.76 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.58 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 5.3 pt20 -53.74 -46.65 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 17.2 tt0 -68.92 1.67 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -118.03 -32.2 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -117.97 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.58 ' CD1' ' HA ' ' A' ' 45' ' ' GLN . 3.0 m-85 -79.81 18.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.446 HG12 ' C ' ' A' ' 46' ' ' GLU . 34.4 m -93.52 171.87 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -53.61 140.44 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.34 -35.05 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -83.69 -33.46 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.408 ' C ' HG22 ' A' ' 50' ' ' VAL . 9.3 t0 -82.05 17.95 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -57.55 122.7 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -137.56 168.91 18.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 56.9 mt -114.35 162.42 16.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.8 tp -104.41 140.11 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.61 105.13 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.25 134.57 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.506 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 7.4 t80 -127.08 108.1 10.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 98' ' ' LEU . 24.0 mt -80.36 118.94 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -100.75 110.39 22.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 13.4 t-80 -117.03 115.01 24.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' GLU . 1.3 m-20 -58.68 -60.19 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' ASP . 15.2 mt-10 -33.85 -44.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.2 t -52.25 159.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 m -106.0 -31.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.91 -24.43 65.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.8 m -68.82 -38.41 79.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 32.8 m120 -50.53 -45.8 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLN . 30.4 m -90.28 -39.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 17.0 t80 -64.25 -12.46 41.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 71' ' ' ASN . 15.6 p -94.3 -37.16 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.423 ' C ' ' HB2' ' A' ' 79' ' ' CYS . 47.2 p -97.9 -11.51 23.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 18.5 mm-40 -102.6 -55.61 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -81.58 -67.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD12 ' CZ ' ' A' ' 61' ' ' TYR . 14.1 mt -49.8 -56.78 9.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.423 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.2 m -55.35 -28.25 52.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 77' ' ' MET . . . -52.03 109.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -60.86 -50.39 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -47.81 -41.49 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.66 -70.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 34.8 m -40.3 -38.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 t -56.25 -44.51 79.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.433 ' CE1' ' CB ' ' A' ' 90' ' ' ASN . 8.7 t80 -83.19 -44.58 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' PHE . 12.4 tp -59.44 -33.63 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 p -83.01 -43.53 16.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -70.74 -59.86 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.433 ' CB ' ' CE1' ' A' ' 86' ' ' TYR . 2.9 m-80 -69.84 -51.44 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 56.0 m-85 -105.44 178.18 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 37.0 mm -105.84 128.67 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.3 m -79.89 122.1 26.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.561 ' CZ3' HD11 ' A' ' 40' ' ' LEU . 14.1 t90 -151.75 102.03 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.64 154.1 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.555 ' CH2' ' OE1' ' A' ' 13' ' ' GLU . 77.2 t-105 -141.19 134.52 29.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -91.54 125.43 36.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 62' ' ' LEU . 5.0 mp -117.93 13.61 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.8 m -56.51 -40.66 75.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 100' ' ' LYS . 1.8 mppt? -77.66 145.0 36.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -57.16 -48.08 79.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -62.44 -47.7 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.403 ' ND2' ' HE2' ' A' ' 100' ' ' LYS . 10.1 m-20 -55.73 -59.77 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.3 ttt-85 -38.19 -60.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.07 94.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -40.93 -53.69 2.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -68.62 -48.62 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.2 mt -38.84 -58.73 1.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.7 m -51.45 -54.31 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 13.7 mtm -49.25 -51.53 32.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.2 t -45.05 -44.1 9.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.402 ' HA ' ' C ' ' A' ' 116' ' ' GLY . 60.1 t-20 -72.76 -58.75 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.4 ttt-85 -45.74 -38.49 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -86.28 -66.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.554 ' CE1' HD11 ' A' ' 137' ' ' ILE . 32.5 m-85 -79.42 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.402 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 150.72 170.61 18.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 118' ' ' VAL . 1.3 t -59.42 -56.7 18.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.966 0.413 . . . . 0.0 110.858 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 117' ' ' SER . 5.8 p -36.78 -37.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.8 t -77.91 -53.09 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.16 -49.47 66.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -48.31 -45.73 35.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.2 m -48.1 -50.31 28.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 82.8 mt -67.72 -47.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -50.72 -43.51 57.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.1 p -69.13 -36.09 77.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -56.67 126.33 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -66.62 174.45 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 90.2 m -65.09 -52.92 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 130' ' ' GLN . 1.1 m-20 -48.14 -47.12 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' ASP . 76.9 mm-40 -36.62 -43.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 64' ' ' HIS . 15.4 m-85 -53.37 156.99 3.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.673 0.749 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.3 Cg_endo -69.77 178.55 25.07 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.3 0.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.1 mt -131.71 105.33 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -101.27 115.47 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 mp -115.06 151.11 34.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.5 mt -114.17 112.25 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.554 HD11 ' CE1' ' A' ' 115' ' ' PHE . 50.9 mm -93.32 119.48 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.42 ' HE1' ' CD2' ' A' ' 147' ' ' LEU . 4.2 ttp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -148.17 148.35 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.437 HG11 ' CG2' ' A' ' 149' ' ' VAL . 83.4 t -64.95 114.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.42 ' CD2' ' HE1' ' A' ' 138' ' ' MET . 9.8 mp -86.34 -61.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.32 135.13 55.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . 0.437 ' CG2' HG11 ' A' ' 146' ' ' VAL . 85.5 t -114.97 118.86 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 57.7 mt -115.38 132.32 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -99.8 178.43 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -81.69 29.25 3.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -116.0 15.43 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.8 t -106.69 171.08 7.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 33.6 p -90.16 132.47 35.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 p -38.15 -37.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -52.62 57.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.25 -35.84 3.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.3 mt -58.34 -39.55 79.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.53 -57.42 13.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 7.1 ptp -61.1 -36.62 80.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 161' ' ' MET . 57.5 mmt-85 -63.81 -46.75 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 67.2 mt -59.58 -55.07 39.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 45.4 mtt -48.98 -44.52 41.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -48.59 -61.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -46.91 -33.81 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 21.9 mtp -73.73 -67.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 11.2 pt-20 -42.3 -37.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.421 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 69.7 mt -62.78 -41.29 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -67.87 -41.17 83.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.58 ' OE2' ' CH2' ' A' ' 96' ' ' TRP . 6.0 mm-40 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.926 0.393 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -38.47 -65.72 0.7 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' GLY . 18.1 t70 -35.38 -54.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.75 73.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' GLY . 91.7 mt -64.22 -52.22 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -42.72 -49.88 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -53.55 -45.84 70.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -67.55 -62.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p -39.52 -46.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 -60.07 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.61 -46.32 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 2.8 t80 -63.15 -50.62 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.5 t -47.83 -41.06 22.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 t -80.49 -60.23 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -45.52 -57.52 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.448 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 33.4 m-85 -81.46 -61.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 157.01 -178.44 33.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.23 -42.84 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.3 m -53.01 103.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -168.01 153.82 6.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 142.46 47.76 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.272 . . . . 0.0 112.353 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.32 117.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -96.87 116.47 29.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 42' ' ' ALA . 4.3 t80 -58.16 106.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.9 mm -79.02 110.64 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.4 -135.38 4.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.0 p -107.24 157.91 17.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.563 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 62.8 tp -59.98 -41.17 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -54.86 -40.67 69.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . . . -52.03 -50.32 61.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.48 -55.81 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 95.9 m-85 -51.27 -43.22 61.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.438 ' C ' ' H ' ' A' ' 47' ' ' ALA . 32.0 mt-30 -61.89 -49.09 77.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 19.1 tt0 -70.12 5.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -117.96 -34.1 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' A' ' 50' ' ' VAL . 18.2 m-85 -118.0 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 19.7 m-85 -78.64 17.94 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 46' ' ' GLU . 35.9 m -105.25 168.28 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -52.33 146.91 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.455 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . . . -54.58 -43.96 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -68.44 -43.46 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.67 17.89 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 41.2 mtp85 -61.06 146.38 47.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' HG3' ' C ' ' A' ' 55' ' ' ARG . 77.9 mttt -151.69 177.97 9.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.8 mt -111.97 165.31 12.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 24.8 tp -104.54 137.99 41.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -136.21 106.23 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.123 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.4 mt -78.61 128.88 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.492 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 53.2 t80 -108.8 115.2 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -93.36 102.34 14.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.406 ' CE1' ' OH ' ' A' ' 28' ' ' TYR . 77.8 t60 -88.81 134.26 33.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 9.4 t-80 -142.69 102.05 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' GLU . 9.1 t70 -58.23 -51.26 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.495 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 10.2 mt-10 -37.32 -41.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.2 t -67.48 147.52 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.442 HG21 ' N ' ' A' ' 69' ' ' LEU . 29.1 m -86.66 -32.45 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 ' N ' HG21 ' A' ' 68' ' ' VAL . 16.8 mt -61.28 -29.44 69.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.1 m -67.59 -36.47 80.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -52.57 -50.15 63.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' GLN . 16.8 m -86.67 -38.14 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 18.4 t80 -61.2 -11.72 10.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 33.8 m -93.14 -38.04 11.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.427 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 15.2 m -101.43 -4.08 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' VAL . 72.8 mm-40 -109.62 -43.06 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.585 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -96.77 -48.31 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.492 HD13 ' CZ ' ' A' ' 61' ' ' TYR . 17.3 mt -76.49 18.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 77' ' ' MET . 1.3 m -112.09 -27.56 8.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.03 102.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 85' ' ' SER . 12.5 pt-20 -50.25 -36.93 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.8 p -67.38 -43.45 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.7 mt -74.58 -60.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.8 m -50.31 -35.18 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 12.7 t -81.7 -63.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 3.7 t80 -46.62 -41.84 15.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' PHE . 4.0 tp -68.08 -42.9 79.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.4 m -65.74 -35.63 81.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -80.96 -60.61 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -64.87 -39.88 94.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' LEU . 5.7 m-85 -118.7 173.48 6.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.7 mm -108.77 106.26 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.9 m -77.45 121.55 23.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.563 ' CZ3' HD11 ' A' ' 40' ' ' LEU . 50.4 t90 -150.66 131.77 14.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.25 161.7 19.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CH2' ' OE2' ' A' ' 13' ' ' GLU . 25.4 t-105 -112.88 -7.27 13.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 99' ' ' THR . 35.6 t70 52.32 47.93 23.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 103' ' ' ASN . 1.7 pt? -77.01 13.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 97' ' ' ASP . 97.3 m -43.43 -38.73 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -80.43 152.13 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 102' ' ' SER . 4.6 p30 -57.71 -53.97 52.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' ASP . 51.1 m -37.51 -59.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.46 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 76.0 m-20 -57.63 -49.39 76.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 103' ' ' ASN . 6.9 tmm_? -34.89 -46.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.97 -49.22 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 53.3 mtt-85 -51.85 -53.46 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -52.12 -38.87 58.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.28 -46.67 72.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -64.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 11.6 ptp -46.82 -35.32 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 110' ' ' MET . 6.2 m -68.31 -45.44 72.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -45.79 -36.15 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -84.19 -52.36 6.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -60.41 -65.14 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.478 ' CE1' HD13 ' A' ' 137' ' ' ILE . 33.7 m-85 -90.61 -68.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.54 -176.19 36.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' ALA . 30.6 t -78.11 -47.47 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.376 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.3 t -42.69 -51.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.473 HG11 ' N ' ' A' ' 120' ' ' ALA . 11.2 p -60.85 -29.63 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.473 ' N ' HG11 ' A' ' 119' ' ' VAL . . . -72.68 -52.61 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -59.76 -45.03 93.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.1 m -51.41 -44.14 62.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.59 -51.39 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -44.41 -39.35 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 78.5 p -70.44 -36.11 73.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -55.54 127.61 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 3.4 mptp? -58.06 175.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 52.9 m -75.51 -59.57 2.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.8 -42.15 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 130' ' ' GLN . 1.0 OUTLIER -37.84 -42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 25.3 m-85 -52.04 156.63 2.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.5 Cg_endo -69.74 156.26 92.81 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.352 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 131' ' ' PHE . 21.0 mt -106.78 102.0 11.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -94.99 118.99 32.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.38 148.92 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 26.2 mt -112.08 109.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.478 HD13 ' CE1' ' A' ' 115' ' ' PHE . 40.0 mm -94.48 138.58 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -146.2 173.02 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.408 HG21 ' CD1' ' A' ' 137' ' ' ILE . 49.0 t -104.06 123.82 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.9 mt -95.88 -61.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -116.38 141.69 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.11 111.65 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 154' ' ' THR . 27.6 mt -100.0 121.34 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 130' ' ' GLN . 65.4 mt-30 -60.67 -56.16 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 145.6 -25.03 1.82 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -80.44 15.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' THR . . . . . 0.463 HG21 ' CG2' ' A' ' 150' ' ' ILE . 14.0 t -77.7 166.44 22.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 47.6 p -86.08 135.24 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.7 p -41.44 -42.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.28 -48.21 82.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -49.92 -43.57 49.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.53 -50.52 65.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 2.7 tpt -51.61 -44.56 62.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.7 mmt -68.89 -53.62 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -41.95 -51.7 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 70.5 mt -59.69 -61.33 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 56.4 mmm -42.67 -44.88 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.56 56.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -45.63 -42.19 11.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 2.7 mtp -61.39 -44.16 97.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -54.58 -53.71 50.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.06 -41.1 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -63.45 -61.86 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.895 0.378 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.24 111.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.21 164.44 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -113.31 153.68 28.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -52.42 120.87 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' GLY . 21.5 mt-10 -86.77 -57.93 2.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -35.13 -70.56 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -49.41 -52.12 30.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.9 -44.63 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.94 -44.8 75.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt -46.91 -61.4 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -42.82 -43.16 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -67.86 -55.93 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.4 HG22 ' CD2' ' A' ' 35' ' ' PHE . 18.5 p -51.9 -37.91 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.195 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.08 71.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -66.41 -55.54 15.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 9.2 t80 -47.98 -37.27 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -53.55 -57.32 11.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.796 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -72.9 -50.86 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -39.77 -61.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.59 -61.82 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.81 174.86 35.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -63.99 -45.38 89.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.4 m -58.01 110.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -167.08 152.84 7.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.412 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.8 Cg_endo -69.81 130.28 19.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.7 t -52.3 111.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CD2' HG22 ' A' ' 21' ' ' THR . 81.1 m-85 -87.1 122.7 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -63.98 123.38 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.5 mm -95.18 114.59 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.62 -153.28 24.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -98.93 136.86 38.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.548 HD12 ' CZ3' ' A' ' 94' ' ' TRP . 26.6 tp -43.43 -39.0 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -48.06 -45.04 31.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.61 90.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.99 -20.66 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -91.19 -56.05 3.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.41 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 4.6 pp0? -56.75 -41.92 78.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 5.5 tp10 -69.41 -7.28 36.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.37 -51.52 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 138' ' ' MET . 9.8 m-85 -97.98 -52.03 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 23.4 m-85 -72.93 7.28 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 55' ' ' ARG . 1.5 p -75.55 172.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 53' ' ' ARG . 5.3 mtmp? -52.55 129.2 28.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.13 -22.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' LYS . 20.3 tpt180 -90.85 -40.67 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.401 ' C ' HG11 ' A' ' 50' ' ' VAL . 2.7 m-20 -85.42 17.73 3.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 11.9 mtp180 -54.75 132.26 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 90' ' ' ASN . 8.5 mtmp? -151.51 177.48 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.6 mt -112.09 158.6 19.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 59' ' ' ALA . 6.1 tp -104.63 151.14 24.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.563 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . . . -141.91 105.12 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.2 mt -77.63 122.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.557 ' CE2' HD12 ' A' ' 78' ' ' LEU . 49.8 t80 -108.28 102.07 11.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.1 mt -78.73 123.9 27.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -106.22 113.07 26.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -121.63 115.7 23.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' GLU . 10.7 t70 -59.25 -54.74 43.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' ASP . 56.8 mt-10 -37.55 -40.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.0 t -61.05 139.54 58.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.1 m -83.58 -25.3 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' ASN . 13.2 mt -76.38 -48.17 20.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 92.1 m -36.47 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 69' ' ' LEU . 74.2 m-20 -72.54 -61.23 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.492 ' CG2' ' N ' ' A' ' 73' ' ' PHE . 19.8 m -67.87 -50.99 54.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.492 ' N ' ' CG2' ' A' ' 72' ' ' VAL . 9.6 t80 -43.94 -32.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 9.2 m -65.87 -53.61 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.439 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 83.4 p -88.76 -1.06 57.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' VAL . 41.6 mm-40 -97.97 -56.29 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.448 ' C ' ' H ' ' A' ' 79' ' ' CYS . 8.2 mmt -98.03 -47.26 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 61' ' ' TYR . 39.5 mt -76.77 17.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.448 ' H ' ' C ' ' A' ' 77' ' ' MET . 22.2 p -102.33 -27.75 12.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.98 148.74 48.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -85.35 -38.84 18.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.5 m -66.52 -38.86 88.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.7 mm -69.04 -49.07 65.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.412 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 35.8 m -66.68 -45.19 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -63.24 -45.95 89.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.531 ' CE2' ' HE2' ' A' ' 164' ' ' MET . 9.8 t80 -69.62 -50.3 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.4 -34.14 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 p -82.64 -45.29 14.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.24 -61.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.501 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 7.4 m-80 -66.76 -54.57 21.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -101.05 175.26 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.6 mm -103.0 106.83 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.1 m -75.1 121.58 22.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 96' ' ' TRP . 34.0 t90 -143.43 127.21 17.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.72 149.85 36.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 77.4 t-105 -143.79 112.95 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.92 106.5 7.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.407 ' HA ' ' CB ' ' A' ' 103' ' ' ASN . 1.9 pt? -112.18 17.34 19.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.5 m -44.83 -68.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -63.63 146.3 54.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 102' ' ' SER . 5.6 p-10 -50.42 -51.57 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 101' ' ' ASP . 1.4 t -37.11 -53.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.407 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 34.9 m120 -71.18 -42.75 68.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -45.51 -60.18 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -56.83 -54.09 50.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 105' ' ' ALA . 58.1 mtt-85 -37.3 -62.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.453 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 63.5 t80 -48.79 -54.54 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.1 mt -48.71 -46.0 40.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.2 m -60.78 -45.87 92.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 25.8 mtm -61.24 -55.84 27.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.453 ' SG ' ' CZ ' ' A' ' 107' ' ' PHE . 1.8 m -58.31 -40.0 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -42.66 -42.55 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -94.44 -61.92 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -41.13 -54.01 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 115' ' ' PHE . 2.1 m-85 -95.32 -60.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.52 179.01 31.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 85.8 p -80.45 -39.56 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 17.7 m -63.39 -21.98 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.5 t -80.94 -58.46 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.32 -54.92 21.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -43.1 -50.2 6.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.5 m -47.05 -52.5 14.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.8 mm -48.76 -40.54 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -59.33 -44.06 92.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.5 p -69.97 -41.73 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.479 ' OE1' ' NE2' ' A' ' 130' ' ' GLN . 15.8 mm-40 -52.31 114.86 1.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 176.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 21.2 m -82.82 -42.66 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.22 -46.41 72.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.479 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 14.0 mt-30 -39.36 -40.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.51 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 50.0 m-85 -52.11 156.62 2.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.6 Cg_endo -69.79 152.52 92.46 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.315 -0.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.82 103.02 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 59' ' ' ALA . 8.1 t80 -91.57 114.73 27.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.41 154.0 26.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 67.7 mt -126.28 128.61 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 3.6 mp -112.26 143.81 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.475 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 20.6 ttt -95.41 -38.98 10.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.466 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . 93.93 122.13 3.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 141' ' ' ARG . 27.9 tttp -142.72 127.94 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 140' ' ' LYS . 37.3 ttt85 -37.25 -45.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 m -61.0 -58.43 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.6 m -166.42 154.83 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -77.14 126.83 31.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -129.68 145.09 51.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.9 152.12 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 138' ' ' MET . 46.9 mt -108.05 -37.47 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -137.97 143.17 40.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 97.0 t -131.84 103.8 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 25.7 mt -91.17 135.64 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.163 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -61.06 -66.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 159.32 -27.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.04 16.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.5 t -70.34 173.26 7.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 158' ' ' GLU . 61.4 p -101.48 129.8 47.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 157' ' ' ASP . 1.0 OUTLIER -35.88 -35.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.439 ' N ' HG11 ' A' ' 156' ' ' VAL . 3.3 m-20 -62.83 -46.45 87.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 155' ' ' THR . 13.7 mt-10 -54.88 -38.75 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 mt -58.06 -42.29 85.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.454 ' CE ' ' HA ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -55.52 -57.9 9.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 20.0 ptt? -63.18 -42.7 99.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 161' ' ' MET . 14.5 mmt85 -56.81 -41.96 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.76 -59.4 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' MET . . . . . 0.531 ' HE2' ' CE2' ' A' ' 86' ' ' TYR . 26.2 mtt -50.36 -45.27 55.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -57.16 -51.19 70.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -46.57 -32.41 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 7.5 mtp -71.08 -61.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 16.9 pt-20 -54.99 -36.56 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.43 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 74.7 mt -67.04 -49.39 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.41 -57.79 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 75.6 p -47.24 -41.99 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.84 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -61.1 -53.91 51.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.17 156.25 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -123.28 176.3 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 177' ' ' ASP . 4.9 pm0 -101.87 -35.34 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.436 ' N ' ' HG2' ' A' ' 176' ' ' GLU . 11.4 m-20 -66.74 -54.94 17.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -75.17 156.01 36.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.64 137.96 51.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -89.84 176.71 6.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 1.3 p30 -67.24 110.84 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.01 -47.81 15.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.71 -48.87 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -58.82 -50.95 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.818 0.342 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.62 -62.63 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 18' ' ' LEU . 79.3 mt -54.53 -52.8 60.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 17' ' ' LEU . 15.1 mt -32.98 -45.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -66.01 -51.48 57.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 15.8 t80 -56.67 -47.93 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.8 m -59.67 -51.58 69.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.13 -59.96 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.13 -43.99 82.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -50.32 -34.64 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' GLY . 43.2 m -54.21 -60.27 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.0 t -71.4 -33.3 69.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -41.46 -62.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CZ ' ' SG ' ' A' ' 74' ' ' CYS . 69.3 m-85 -112.18 -37.87 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 160.89 162.34 12.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 5.5 p-10 -57.76 -40.74 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -52.12 108.16 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 1.6 p80 -167.98 152.04 6.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.5 Cg_endo -69.78 124.64 11.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.11 108.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.543 ' CD2' HG23 ' A' ' 93' ' ' THR . 92.5 m-85 -81.61 145.45 30.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.2 t80 -85.06 114.86 22.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.5 mm -69.58 107.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.85 -153.36 24.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 t -119.51 153.81 34.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 13.4 tp -41.96 -40.58 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -51.53 67.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.06 -57.48 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.1 -46.32 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -49.92 -41.2 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.435 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 2.5 pt20 -59.99 -24.68 64.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -108.74 9.42 26.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.99 -66.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 13.9 m-85 -113.57 -37.92 4.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 4.4 m-30 -44.09 -39.12 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -63.03 166.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.442 ' CD ' ' HG2' ' A' ' 53' ' ' ARG . 2.9 ptpt -52.0 179.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . . . -80.26 -34.14 37.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' HG2' ' CD ' ' A' ' 51' ' ' LYS . 1.5 ptt180 -59.17 -25.43 63.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 32.8 p30 -117.77 16.38 14.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 12.7 mtp180 -61.14 138.18 58.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.418 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 75.9 mttt -148.32 176.95 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.565 HD13 ' CE2' ' A' ' 91' ' ' PHE . 6.3 mt -112.58 167.42 10.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.9 tp -105.08 144.38 31.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.11 112.86 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CD1' HG13 ' A' ' 137' ' ' ILE . 5.3 mp -89.52 122.37 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -112.45 108.97 18.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.0 mt -82.47 129.1 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -116.71 128.33 55.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.404 ' ND1' ' HB2' ' A' ' 66' ' ' GLU . 11.2 t-80 -139.51 113.61 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.9 t70 -56.14 -56.18 24.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' ASP . 45.7 mm-40 -36.43 -45.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 t -55.06 145.56 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 69' ' ' LEU . 22.7 m -87.14 -26.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' N ' HG22 ' A' ' 68' ' ' VAL . 13.4 mt -73.14 -30.36 63.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 89.7 m -61.24 -31.61 71.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -67.43 -52.14 43.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -74.52 -54.76 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 13.9 t80 -45.56 -19.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 72' ' ' VAL . 1.6 m -69.46 -67.0 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.421 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 78.3 p -88.27 -2.68 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 mm100 -97.96 -50.87 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.92 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 15.3 mt -46.97 -26.29 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.421 ' HB3' ' C ' ' A' ' 75' ' ' SER . 13.9 p -58.8 -37.63 76.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.06 115.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -70.67 -44.19 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 44.4 p -50.69 -22.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' SER . 70.8 mt -94.79 -69.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 19.9 m -38.3 -28.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' ILE . 22.7 t -85.27 -63.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 3.6 t80 -48.66 -45.16 38.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.11 -40.12 95.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.6 p -68.17 -38.75 82.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -78.77 -62.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.06 -43.89 97.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CE2' HD13 ' A' ' 57' ' ' LEU . 3.0 m-85 -114.74 177.34 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.8 mm -102.13 120.76 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.543 HG23 ' CD2' ' A' ' 35' ' ' PHE . 94.5 m -74.62 120.13 19.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 40' ' ' LEU . 5.7 t90 -153.42 120.9 5.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -123.34 166.5 15.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -151.59 122.79 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.591 ' OD1' ' CE2' ' A' ' 20' ' ' PHE . 1.8 m-20 -78.51 111.56 14.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.97 10.75 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -49.21 -45.86 45.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -82.22 138.8 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -52.09 -51.2 59.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.2 m -54.44 -54.21 43.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -54.35 -57.75 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -43.57 -59.63 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -56.34 -51.74 67.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 105' ' ' ALA . 60.4 ttt180 -36.43 -56.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -56.42 -53.48 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.3 mt -51.74 -43.11 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.6 m -63.81 -67.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.0 ptm -47.08 -46.35 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.0 t -46.81 -57.19 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 112' ' ' ASN . 25.2 t-20 -45.6 -49.79 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -51.91 -44.0 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -82.82 -68.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.564 ' CE2' HD11 ' A' ' 137' ' ' ILE . 88.1 m-85 -78.26 -68.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.57 166.92 12.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.554 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.5 t -58.53 -41.38 85.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 25.7 m -47.22 -24.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.7 t -91.07 -63.17 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.26 -46.6 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -53.68 -54.24 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 95.2 m -42.58 -32.83 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.461 HG22 ' CD1' ' A' ' 133' ' ' LEU . 88.9 mt -85.89 -50.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -51.29 -38.23 51.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 4.8 t -72.48 -34.6 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -63.62 147.54 51.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -77.76 169.91 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 38.4 m -66.46 -36.85 83.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.69 -47.06 64.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -40.03 -46.36 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 70.4 m-85 -53.65 153.58 7.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.83 142.79 71.84 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.331 0.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 123' ' ' ILE . 13.1 mt -96.44 104.71 16.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.58 114.55 27.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.3 mp -115.47 152.27 33.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 93.0 mt -113.07 110.97 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.564 HD11 ' CE2' ' A' ' 115' ' ' PHE . 28.8 mm -105.21 120.83 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.597 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 5.7 ptm -82.63 -30.98 29.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.546 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 80.89 147.93 5.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.539 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 142' ' ' SER . 15.6 tttp -150.52 116.26 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -36.01 -30.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 140' ' ' LYS . 5.1 t -83.23 -67.6 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 64.0 p -151.5 128.09 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -69.53 152.29 44.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -152.11 162.63 40.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 67.4 t -93.75 130.02 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.07 -62.76 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.75 139.31 53.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 96.6 t -117.64 126.96 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.401 ' CG2' HG21 ' A' ' 154' ' ' THR . 45.4 mt -118.08 106.68 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -42.69 -61.43 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 143.84 -19.8 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -79.58 11.79 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' THR . . . . . 0.401 HG21 ' CG2' ' A' ' 150' ' ' ILE . 8.0 t -77.53 177.65 7.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 158' ' ' GLU . 81.3 p -95.85 131.07 42.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 155' ' ' THR . 12.2 p -34.95 -35.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 155' ' ' THR . 7.4 m-20 -64.04 -50.08 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 155' ' ' THR . 6.1 mt-10 -48.68 -37.51 18.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 11.1 mt -69.27 -47.32 64.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -53.24 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 162' ' ' ARG . 2.8 mmt -66.3 -55.25 16.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' MET . 1.3 mmp_? -38.14 -49.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.2 mt -47.91 -54.51 12.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.6 mmt -53.11 -58.96 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -42.56 -50.56 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -48.4 -40.81 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 5.1 mtp -69.57 -60.83 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -45.9 -42.65 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 30.8 mt -75.66 -49.34 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -42.67 -62.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.415 ' CG2' ' H ' ' A' ' 172' ' ' ALA . 0.7 OUTLIER -49.33 -64.34 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.415 ' H ' ' CG2' ' A' ' 171' ' ' THR . . . -44.37 -44.18 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -58.64 -44.71 90.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -68.1 167.3 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . 0.401 ' CD ' HD11 ' A' ' 178' ' ' ILE . 8.4 pt20 -65.32 158.04 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -82.72 -50.12 9.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -38.06 -57.23 1.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.401 HD11 ' CD ' ' A' ' 175' ' ' GLN . 72.6 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -96.17 104.7 16.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.54 160.2 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -95.56 176.25 6.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -66.04 114.07 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' OE1' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -40.13 -57.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 15' ' ' ASP . . . -37.45 -62.96 0.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.461 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 14' ' ' GLY . 7.0 t70 -36.99 -56.4 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.42 -50.75 9.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.19 -52.09 66.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.1 mt -46.99 -41.08 15.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -66.43 -48.12 71.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -60.31 -53.94 51.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -39.3 -58.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.8 -55.35 31.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -48.85 -44.41 39.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.2 t80 -58.38 -37.05 74.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 m -73.21 -40.16 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.6 p -69.4 -40.59 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -78.36 -63.18 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.424 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 38.7 m-85 -78.36 -68.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.93 151.73 7.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -48.14 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.313 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.6 m -54.62 102.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -167.56 157.6 9.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.75 124.56 11.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.92 120.07 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 75.9 m-85 -82.25 145.26 30.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CD2' ' OE1' ' A' ' 46' ' ' GLU . 43.6 t80 -68.59 103.81 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.98 104.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' OE2' ' A' ' 13' ' ' GLU . . . 159.02 -164.3 33.69 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -89.53 144.56 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 8.9 tp -49.99 -24.5 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -56.46 -51.9 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 36' ' ' PHE . . . -55.77 -51.01 68.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -35.64 -40.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -61.23 -44.13 97.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.536 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 5.3 pt20 -77.12 -45.94 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.621 ' OE1' ' CD2' ' A' ' 36' ' ' PHE . 27.8 tt0 -57.55 -9.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.97 -35.99 3.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 24.9 m-85 -97.72 -41.68 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 2.9 m-85 -77.69 16.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 46' ' ' GLU . 32.7 m -86.26 171.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.96 154.43 22.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.11 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -78.2 -39.2 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.57 15.31 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 43.9 mtm-85 -54.19 135.7 43.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 9.6 mtmp? -144.05 178.21 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.473 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 38.3 mt -112.02 175.33 5.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.4 tp -109.81 133.9 52.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.548 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . . . -121.29 110.56 16.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.5 mt -93.07 115.6 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -108.62 112.03 24.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD11 ' CE2' ' A' ' 107' ' ' PHE . 33.9 mt -91.38 106.34 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -84.28 118.83 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 5.3 t-80 -126.96 120.63 29.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.6 t0 -68.81 -56.51 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.497 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 29.4 mt-10 -33.44 -45.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.9 t -58.31 139.25 55.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.2 m -90.43 -26.77 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 70' ' ' THR . 12.5 mt -65.68 -47.77 74.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 69' ' ' LEU . 86.1 m -32.11 -43.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.532 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 1.3 p-10 -48.84 -54.15 16.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.532 ' N ' ' CG ' ' A' ' 71' ' ' ASN . 23.6 m -84.45 -44.97 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.581 ' CD2' ' HE3' ' A' ' 77' ' ' MET . 1.7 t80 -40.34 -35.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.467 ' CB ' HD12 ' A' ' 78' ' ' LEU . 27.6 p -90.97 -37.88 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.424 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 12.1 m -74.4 -12.1 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' VAL . 30.2 mm-40 -109.83 -38.73 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.581 ' HE3' ' CD2' ' A' ' 73' ' ' PHE . 19.4 mtt -99.85 -49.43 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.467 HD12 ' CB ' ' A' ' 74' ' ' CYS . 87.5 mt -82.64 17.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 75' ' ' SER . 2.6 p -105.35 -23.92 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.95 128.81 34.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -64.91 -40.2 94.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.8 t -62.81 -34.23 76.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.6 mm -76.15 -58.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.48 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 24.9 m -54.6 -35.1 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 89' ' ' GLN . 3.9 t -77.21 -58.45 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -50.53 -46.78 57.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 tp -68.03 -34.51 76.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.4 p -86.5 -11.61 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -96.55 -58.11 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.95 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.487 ' ND2' ' HG2' ' A' ' 89' ' ' GLN . 6.1 m-80 -80.09 -36.73 35.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.473 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.8 m-85 -110.53 167.99 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.8 mm -95.76 122.63 47.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.426 HG22 ' CD1' ' A' ' 35' ' ' PHE . 26.0 m -86.4 113.26 22.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 82.1 t90 -140.82 127.45 20.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.527 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -124.07 155.33 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.492 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 76.4 t-105 -142.33 109.58 5.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -71.62 107.99 4.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -116.36 17.53 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.427 HG22 ' CB ' ' A' ' 65' ' ' ASP . 22.0 m -51.73 -43.47 62.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -68.66 149.78 48.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 101' ' ' ASP . 30.9 t0 -58.71 -58.04 10.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.4 t -41.89 -52.59 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.29 -39.93 78.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 ttt-85 -47.79 -53.12 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.68 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 109' ' ' THR . 69.7 mtt-85 -43.36 -65.6 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.548 ' CE2' HD11 ' A' ' 62' ' ' LEU . 39.8 t80 -43.26 -45.91 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.427 ' O ' ' SG ' ' A' ' 111' ' ' CYS . 17.3 mt -72.2 -23.51 61.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' ARG . 32.0 m -82.26 -29.04 31.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.9 ptm -85.19 -38.07 19.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 108' ' ' LEU . 28.3 p -53.3 -26.86 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -74.44 -29.75 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -87.89 -41.72 13.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -71.5 -62.0 1.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -92.63 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 148.18 -157.93 27.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -82.6 -55.17 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.6 t -38.89 -61.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.63 -46.5 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.04 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -44.59 -47.21 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.3 m -38.87 -51.73 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.7 mt -70.18 -56.43 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -40.29 -44.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 67.7 p -68.41 -40.6 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -53.86 119.55 5.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -59.21 177.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.1 m -72.74 -56.04 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.12 -41.97 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -45.17 -43.53 10.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.5 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 21.6 m-85 -52.12 158.6 1.76 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.74 165.95 75.24 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.357 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 16.5 mt -115.38 111.15 20.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 59' ' ' ALA . 2.2 t80 -97.44 119.05 35.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.474 HD11 ' N ' ' A' ' 135' ' ' LEU . 2.8 mp -123.6 143.45 50.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 57.4 mt -113.52 104.53 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 31.7 mm -96.96 107.33 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.538 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 14.6 ttp -97.68 -62.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 138' ' ' MET . . . 33.05 -146.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 139' ' ' GLY . 2.4 mptp? -122.23 177.02 5.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 36.6 ptt85 -50.38 -40.77 50.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.8 m -97.84 -66.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.7 p -63.73 162.12 13.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -142.45 153.32 43.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -160.7 168.06 25.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.9 t -106.28 125.24 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 147' ' ' LEU . 2.2 mm? -93.96 -62.86 1.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . 0.452 ' ND2' ' HD3' ' A' ' 162' ' ' ARG . 91.8 m-20 -121.54 140.93 51.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 67.4 t -128.97 108.18 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.4 mt -99.78 140.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.44 -67.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 170.46 -27.79 0.11 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -80.05 12.98 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' THR . . . . . 0.407 HG22 ' CE ' ' A' ' 77' ' ' MET . 8.9 t -65.43 178.15 1.01 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 158' ' ' GLU . 74.1 p -129.23 146.76 51.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 155' ' ' THR . 69.8 t -37.34 -48.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.44 -41.4 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 155' ' ' THR . 21.6 mm-40 -60.86 -48.04 83.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 77' ' ' MET . 55.2 mt -49.38 -57.79 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 5.4 mmt -48.18 -53.45 16.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.6 mtp -57.09 -58.79 6.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.452 ' HD3' ' ND2' ' A' ' 148' ' ' ASN . 12.7 mmp_? -47.45 -48.08 26.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.04 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 33.4 mtp -46.11 -51.86 13.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.92 -48.87 72.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . 0.422 ' HB1' ' CD1' ' A' ' 57' ' ' LEU . . . -52.26 -35.81 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 41.7 mmm -73.37 -48.36 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -61.14 -38.25 85.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 74.1 mt -65.44 -38.62 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.435 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 26.1 t80 -53.15 -68.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.415 ' CG2' ' H ' ' A' ' 172' ' ' ALA . 1.3 t -50.44 -61.63 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.415 ' H ' ' CG2' ' A' ' 171' ' ' THR . . . -47.37 -37.76 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -66.98 -67.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.08 177.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -134.68 167.91 19.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -123.7 113.25 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.99 -61.27 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -149.56 165.89 30.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.34 151.19 31.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -83.75 130.77 34.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 57.62 45.31 19.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -69.34 -61.84 1.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.24 -59.37 6.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.71 -41.9 56.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.55 -48.48 71.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' LEU . 92.7 mt -63.75 -53.01 57.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LEU . 10.5 mt -34.03 -55.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -59.13 -57.86 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 2.4 t80 -46.71 -53.94 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -44.58 -52.51 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.43 -53.28 56.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' PHE . 9.7 mm-40 -58.19 -61.19 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.6 t80 -33.75 -57.76 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 38.8 p -58.77 -66.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . 12.6 t -37.66 -52.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -39.78 -63.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -91.65 -67.74 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.42 -155.32 11.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -39.19 15.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 t -52.87 107.43 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -167.9 152.99 6.65 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.546 0.688 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 127.46 14.63 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 10.9 p -56.63 106.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CE1' ' HB1' ' A' ' 95' ' ' ALA . 71.1 m-85 -78.39 138.15 38.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 11.3 t80 -75.26 119.12 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mm -81.85 114.97 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.26 179.46 26.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -73.06 137.87 45.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 13.1 tp -51.69 -39.17 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.54 -30.04 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -76.98 -54.87 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.82 -35.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.544 ' CE1' HD21 ' A' ' 58' ' ' LEU . 68.2 m-85 -58.62 -48.27 81.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' ALA . 5.4 pt20 -58.71 -43.62 90.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 29.6 tp10 -62.63 -15.59 52.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.19 -49.63 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 139' ' ' GLY . 0.4 OUTLIER -98.02 -68.13 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.44 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 24.3 m-85 -43.74 -28.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.3 p -53.79 171.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.51 137.59 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.24 -31.16 13.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -49.29 -47.32 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.93 -70.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 54.46 34.23 20.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -52.4 176.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.544 HD12 ' CE2' ' A' ' 91' ' ' PHE . 14.4 mt -112.81 171.39 7.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.544 HD21 ' CE1' ' A' ' 44' ' ' PHE . 40.7 tp -109.61 147.58 32.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.414 ' HB3' ' CE1' ' A' ' 134' ' ' PHE . . . -144.91 113.15 6.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mp -89.08 129.26 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE1' HD12 ' A' ' 78' ' ' LEU . 33.5 t80 -115.22 104.16 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD12 ' CZ ' ' A' ' 107' ' ' PHE . 95.6 mt -82.48 124.33 29.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -106.26 130.59 54.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -133.02 125.21 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLU . 29.8 t0 -70.31 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' ASP . 52.6 mt-10 -34.39 -42.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 t -61.78 135.36 57.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.8 m -86.09 -23.47 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.446 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 31.3 mt -70.65 -32.05 69.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.0 m -60.41 -46.34 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -46.29 -64.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 73' ' ' PHE . 26.8 m -69.46 -51.82 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.586 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 3.3 t80 -37.83 -35.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 2.2 m -61.17 -68.99 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 54.0 p -76.96 0.07 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' VAL . 66.8 mm-40 -93.68 -56.26 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.586 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 15.1 mtt -104.72 -38.89 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 61' ' ' TYR . 13.6 mt -81.18 17.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.41 ' HB3' ' C ' ' A' ' 75' ' ' SER . 15.8 p -101.66 -33.38 9.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.42 143.6 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -86.77 -32.19 20.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.8 m -66.86 -33.53 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.8 mt -81.75 -60.5 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.4 m -49.4 -31.32 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 m -84.24 -67.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 5.0 t80 -45.71 -37.5 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.88 -46.53 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.6 p -75.09 -43.29 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -58.72 -53.02 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -84.53 -56.05 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.544 ' CE2' HD12 ' A' ' 57' ' ' LEU . 10.4 m-85 -97.27 177.21 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mm -105.06 107.61 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.8 m -69.76 124.21 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 64.7 t90 -148.32 123.02 9.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.406 ' HB1' ' CE1' ' A' ' 35' ' ' PHE . . . -109.81 156.34 20.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 70.9 t-105 -148.32 127.45 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.34 109.6 20.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.408 HD23 ' CE2' ' A' ' 131' ' ' PHE . 1.6 pt? -112.34 12.77 20.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.3 m -49.06 -49.9 39.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.432 ' N ' ' HE2' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -63.73 139.31 58.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -48.35 -50.16 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -54.53 -55.4 29.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -53.18 -45.06 68.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -46.22 -49.73 16.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 108' ' ' LEU . . . -61.94 -48.25 81.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 110' ' ' MET . 69.0 mtt180 -40.29 -57.74 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.498 ' CZ ' HD12 ' A' ' 62' ' ' LEU . 60.3 t80 -52.92 -31.81 42.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 105' ' ' ALA . 12.6 mt -79.9 -65.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 110' ' ' MET . 0.8 OUTLIER -48.76 -41.93 33.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -69.17 -38.12 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 107' ' ' PHE . 1.7 m -64.53 -43.06 95.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -50.54 -32.45 18.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -94.56 -57.31 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -51.97 -59.94 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -97.56 -68.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.9 -169.31 35.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.7 m -82.73 -42.67 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 22.2 m -48.72 -22.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -89.45 -57.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.92 -53.54 47.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -42.92 -55.05 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.8 m -46.74 -44.28 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.4 mm -57.85 -48.91 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -44.78 -43.51 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.0 p -71.87 -37.34 70.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -56.67 122.29 11.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -73.5 177.87 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.8 m -70.62 -64.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -39.92 -45.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -41.37 -42.19 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 133' ' ' LEU . 16.3 m-85 -52.07 158.9 1.62 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.4 Cg_endo -69.79 -178.09 16.0 Favored 'Cis proline' 0 C--O 1.232 0.211 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.337 0.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 131' ' ' PHE . 38.4 mt -133.6 103.78 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 3.4 t80 -90.17 111.28 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 135' ' ' LEU . 1.1 mm? -102.74 163.54 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.443 ' CD1' ' HB3' ' A' ' 162' ' ' ARG . 87.0 mt -138.0 106.98 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 138' ' ' MET . 5.4 mp -103.86 137.21 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.436 ' N ' HG22 ' A' ' 137' ' ' ILE . 2.4 ttt -86.65 -44.58 11.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 90.34 139.06 7.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 141' ' ' ARG . 20.9 mtmt -156.36 124.47 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 140' ' ' LYS . 37.5 ttp180 -33.19 -37.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 140' ' ' LYS . 15.6 t -67.6 -57.58 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.4 p -164.17 170.96 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -112.75 146.17 39.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.55 147.81 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.505 ' O ' ' CG2' ' A' ' 146' ' ' VAL . 2.6 m -80.64 119.62 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.1 mp -77.43 -21.18 53.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . 0.543 ' ND2' ' NH1' ' A' ' 162' ' ' ARG . 58.8 m-20 -158.0 146.93 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.478 ' HA ' ' CD1' ' A' ' 135' ' ' LEU . 64.0 t -122.81 101.98 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.452 ' CG2' ' HB ' ' A' ' 154' ' ' THR . 10.6 mt -92.33 150.72 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.463 ' HG3' ' CD2' ' A' ' 133' ' ' LEU . 2.4 mp0 -115.81 178.38 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -68.01 -21.01 73.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -78.93 2.43 20.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' THR . . . . . 0.499 ' O ' ' CE ' ' A' ' 77' ' ' MET . 2.6 t -69.25 147.59 51.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.1 p -84.86 133.07 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 11.9 p -40.34 -42.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.6 -44.5 93.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.12 -49.04 72.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 79.6 mt -45.38 -55.92 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 41.4 tpp -56.19 -43.39 78.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 162' ' ' ARG . 73.3 mmm -59.61 -59.61 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.543 ' NH1' ' ND2' ' A' ' 148' ' ' ASN . 7.9 mmt180 -37.01 -63.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 88.6 mt -43.12 -58.52 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.2 mtm -48.08 -42.8 29.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.89 -61.77 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -44.01 -41.42 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 3.5 mmt -60.97 -53.33 58.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.43 -52.13 66.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.2 mt -57.03 -39.21 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.37 -55.18 34.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 23.2 p -57.71 -52.27 66.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.57 64.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -52.47 -52.13 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -61.71 151.03 34.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -88.83 126.92 35.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -144.9 121.56 11.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -78.69 -60.91 2.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -61.16 -46.64 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.4 172.37 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -113.83 134.21 54.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -56.54 -57.6 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -51.31 -54.15 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.58 -47.57 17.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -57.82 -55.19 38.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.63 -41.64 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' LEU . 92.5 mt -71.21 -56.52 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.8 mt -34.38 -43.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -67.73 -66.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -45.49 -52.4 10.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.4 p -46.58 -49.45 18.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.69 -67.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' PHE . 9.0 mm-40 -52.46 -61.12 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.458 ' CZ ' ' SG ' ' A' ' 74' ' ' CYS . 24.7 t80 -33.69 -42.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' SER . 4.2 m -79.3 -64.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' SER . 29.7 t -37.14 -41.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -54.19 -58.67 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.507 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 30.4 m-85 -84.66 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.58 -160.97 22.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -89.82 -44.61 9.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -53.22 114.64 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -167.45 156.15 8.94 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 128.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -58.67 114.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CD1' HG22 ' A' ' 93' ' ' THR . 69.4 m-85 -88.45 127.24 35.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.41 107.63 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.0 mm -66.97 104.73 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.32 -163.38 33.89 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' ALA . 77.3 p -101.58 153.35 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 tp -41.18 -40.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.57 -40.07 78.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' SER . . . -58.71 -55.05 40.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.79 -45.13 3.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -57.65 -35.79 70.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.432 ' OE1' ' CE2' ' A' ' 49' ' ' TYR . 5.9 mm100 -66.52 -21.54 66.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.01 7.07 14.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.21 -59.93 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -116.08 -36.11 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.432 ' CE2' ' OE1' ' A' ' 45' ' ' GLN . 3.0 m-85 -51.04 -27.02 7.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.419 HG22 ' C ' ' A' ' 54' ' ' ASP . 19.7 m -62.16 177.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 161.17 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.66 -33.17 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.507 ' O ' ' NE ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -82.07 -34.09 29.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' C ' HG22 ' A' ' 50' ' ' VAL . 8.5 m-20 -85.93 0.54 52.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -53.15 146.98 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -150.01 177.99 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 91' ' ' PHE . 85.5 mt -111.58 162.15 15.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.6 tp -116.01 147.52 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -147.21 109.25 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -83.17 125.59 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE1' HD13 ' A' ' 78' ' ' LEU . 14.6 t80 -108.63 105.53 15.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.528 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 81.3 mt -77.3 116.89 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -89.38 135.08 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.533 ' CE1' HG21 ' A' ' 128' ' ' THR . 8.1 t-80 -143.24 124.06 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.95 -56.73 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 22.2 mt-10 -37.86 -41.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 t -58.94 154.43 15.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -97.42 -34.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.84 -33.11 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.6 m -55.13 -40.4 70.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -49.7 -63.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' GLN . 15.8 m -70.88 -55.69 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 8.5 t80 -46.26 -20.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.458 ' SG ' ' CZ ' ' A' ' 24' ' ' PHE . 10.8 t -73.87 -54.65 7.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.507 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 95.6 p -97.11 0.83 49.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' VAL . 95.8 mm-40 -106.09 -47.12 3.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.584 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.9 -56.53 2.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 61' ' ' TYR . 7.5 mt -59.8 -28.88 67.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.437 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.3 m -90.18 -8.54 50.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.1 102.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -57.09 5.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -48.31 -19.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.472 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 80.2 mt -98.06 -69.42 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' ILE . 23.6 m -36.87 -30.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' ILE . 2.8 m -70.72 -52.87 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.659 ' CE2' ' CG ' ' A' ' 90' ' ' ASN . 44.6 t80 -79.26 -55.41 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 91' ' ' PHE . 6.7 tp -41.77 -34.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -90.04 -43.04 10.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.75 -61.2 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.659 ' CG ' ' CE2' ' A' ' 86' ' ' TYR . 5.8 m-80 -77.07 -50.63 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 57' ' ' LEU . 3.1 m-85 -99.13 176.01 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.9 mm -113.25 117.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.525 HG22 ' CD1' ' A' ' 35' ' ' PHE . 27.4 m -79.82 134.48 36.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.434 ' CZ3' ' HB2' ' A' ' 96' ' ' TRP . 58.4 t90 -155.81 108.75 2.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.13 146.14 25.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.434 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 74.8 t-105 -140.29 128.64 22.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.66 107.72 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -115.12 7.63 15.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.4 m -63.52 -40.15 96.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -65.25 125.39 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 100' ' ' LYS . 6.8 p-10 -33.78 -50.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.6 p -56.43 -65.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 104' ' ' ARG . 3.0 m120 -50.18 -53.8 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 103' ' ' ASN . 7.6 tmm_? -33.99 -59.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.98 82.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -43.52 -67.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.528 ' CZ ' HD22 ' A' ' 62' ' ' LEU . 71.0 t80 -41.5 -61.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 mt -42.47 -53.91 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.3 m -56.74 -46.19 81.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.3 mtm -58.94 -52.81 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.481 ' SG ' ' CZ ' ' A' ' 107' ' ' PHE . 6.9 m -59.42 -43.79 92.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -42.54 -39.41 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' HIS . 9.4 ttt85 -93.77 -66.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' ARG . 15.2 m-70 -34.57 -56.12 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 137' ' ' ILE . 20.5 m-85 -96.81 -59.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.08 166.74 13.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 t -59.82 -44.7 93.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.3 t -48.22 -46.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 83.0 t -67.84 -65.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -39.36 -56.44 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -40.46 -49.13 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 95.0 m -50.93 -41.63 59.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.3 mm -67.08 -24.73 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -73.54 -55.5 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.8 t -66.4 -23.84 66.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.403 ' NE2' HD23 ' A' ' 133' ' ' LEU . 13.3 mm-40 -65.71 117.47 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -68.57 174.45 4.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.533 HG21 ' CE1' ' A' ' 64' ' ' HIS . 72.8 m -69.89 -59.64 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.6 OUTLIER -36.4 -42.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -50.35 -46.4 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.521 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 44.3 m-85 -52.05 156.08 2.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.76 164.91 78.02 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.34 0.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.403 HD23 ' NE2' ' A' ' 126' ' ' GLN . 13.6 mt -122.33 105.09 9.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -92.21 114.55 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.69 136.91 52.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 64.2 mt -106.39 113.88 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.573 HG12 ' CE1' ' A' ' 115' ' ' PHE . 4.8 mp -106.63 147.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.465 ' HG3' ' CD2' ' A' ' 57' ' ' LEU . 13.0 ttp -155.27 137.0 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 173.91 -157.8 26.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 142' ' ' SER . 0.5 OUTLIER -120.33 157.75 28.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 0.0 110.912 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -25.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 140' ' ' LYS . 36.2 t -64.91 -48.54 73.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.4 t -167.44 161.48 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -135.25 175.47 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -163.1 164.34 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.6 t -79.58 114.03 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 147' ' ' LEU . 2.6 mm? -82.08 -54.7 5.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -127.6 154.62 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 67.2 t -131.86 106.5 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.467 HD11 ' CB ' ' A' ' 162' ' ' ARG . 42.6 mt -106.98 144.48 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -105.42 149.99 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -53.15 -15.27 3.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.71 8.77 13.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 7.2 t -79.22 170.79 16.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.168 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 65.0 p -102.15 148.21 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.44 ' CG2' ' SD ' ' A' ' 77' ' ' MET . 86.5 t -46.41 -51.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -58.34 -50.88 72.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -49.8 -51.04 42.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 73' ' ' PHE . 15.1 mt -45.83 -64.66 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 83' ' ' ILE . 18.0 tpp -48.5 -45.66 37.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.2 mmt -57.34 -50.51 72.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.467 ' CB ' HD11 ' A' ' 150' ' ' ILE . 10.4 mmt180 -50.96 -54.28 25.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.526 HD23 ' CE2' ' A' ' 91' ' ' PHE . 57.5 mt -43.53 -49.44 7.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.7 mtt -60.58 -37.7 82.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.64 67.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -89.42 -38.97 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -32.19 58.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.85 -34.72 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -73.89 -40.18 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -48.63 -56.75 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 43.0 p -58.3 -47.56 83.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -61.24 -26.03 67.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -73.7 -65.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -48.75 -48.5 40.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.68 122.0 24.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -149.5 124.95 10.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -114.01 -37.58 4.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -98.5 13.0 33.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.14 17.74 4.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.64 134.19 47.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' GLU . 70.8 m-80 -97.06 -51.09 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' ASN . 2.5 mp0 -37.28 -54.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -37.86 -68.82 0.37 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.98 -50.27 69.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.24 -48.93 12.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' LEU . 58.3 mt -61.23 -55.44 31.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' LEU . 11.8 mt -33.96 -53.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -54.72 -50.77 67.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.96 -52.59 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.3 m -53.62 -42.96 68.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.62 -62.95 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.42 -48.06 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 3.1 t80 -53.34 -54.43 36.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -40.32 -65.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.9 m -60.85 -47.03 88.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -39.92 -63.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -94.67 -62.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.57 166.51 35.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -45.31 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.15 108.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -168.01 154.35 7.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.588 0.708 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 119.7 6.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.05 111.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD2' ' CG2' ' A' ' 93' ' ' THR . 65.6 m-85 -85.26 140.0 31.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 7.2 t80 -77.21 112.23 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.9 mm -71.48 113.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.35 -139.76 6.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.8 p -122.49 151.38 41.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.573 HD12 ' CZ3' ' A' ' 94' ' ' TRP . 18.4 tp -43.55 -40.87 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -57.57 -62.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.3 -52.14 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.02 -52.07 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -46.65 -48.89 19.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.551 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 54.8 mt-30 -55.56 -63.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' C ' HG11 ' A' ' 50' ' ' VAL . 10.9 tp10 -60.38 -0.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -98.87 -47.68 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' C ' ' H ' ' A' ' 50' ' ' VAL . 17.6 m-85 -118.0 -30.33 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.551 ' CD1' ' HA ' ' A' ' 45' ' ' GLN . 3.0 m-85 -76.89 17.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.988 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.465 HG11 ' C ' ' A' ' 46' ' ' GLU . 35.6 m -98.94 176.0 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -54.61 135.19 46.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.36 -25.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.2 mmt-85 -89.53 -39.55 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -83.91 16.87 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 26.7 mtp180 -56.78 129.83 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -135.41 175.0 9.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.574 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 52.7 mt -112.33 167.96 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.2 tp -107.77 136.73 47.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.98 122.68 21.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 61' ' ' TYR . 81.1 mt -98.65 135.31 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.403 ' N ' HG21 ' A' ' 60' ' ' ILE . 2.2 t80 -121.71 128.88 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 73.2 mt -106.5 130.98 54.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -106.46 128.75 54.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.6 t-80 -138.85 117.76 12.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' GLU . 13.5 t70 -64.58 -53.65 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.0 mm-40 -35.94 -44.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 t -57.13 159.64 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.3 m -105.23 -36.53 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.42 -33.84 76.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.0 m -52.11 -50.97 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -39.03 -65.16 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' CYS . 18.2 m -70.47 -55.3 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 7.7 t80 -43.04 -21.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.0 t -73.1 -53.52 10.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.446 ' C ' ' HB2' ' A' ' 79' ' ' CYS . 24.8 p -96.86 0.33 49.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 93.7 mm-40 -105.88 -47.69 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -97.8 -55.73 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 10.2 mt -62.11 -17.38 57.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.446 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.3 m -103.16 18.0 22.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.459 ' HB3' ' CG1' ' A' ' 83' ' ' ILE . . . -86.78 103.01 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -43.53 -51.78 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.7 p -55.2 -37.94 67.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.459 ' CG1' ' HB3' ' A' ' 80' ' ' ALA . 29.7 mm -78.4 -70.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 20.2 m -42.43 -40.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.404 ' N ' HG21 ' A' ' 84' ' ' VAL . 41.0 t -58.95 -56.8 17.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 28.8 t80 -70.1 -58.38 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 91' ' ' PHE . 16.9 tp -41.73 -36.34 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 82.8 p -86.73 -50.76 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.45 -61.29 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.571 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 2.4 m-80 -73.07 -58.13 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.574 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -93.89 176.74 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.4 mm -105.02 132.07 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.569 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 66.6 m -89.23 114.66 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.573 ' CZ3' HD12 ' A' ' 40' ' ' LEU . 11.1 t90 -139.09 116.4 11.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.88 159.6 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -157.93 115.53 3.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -79.16 104.62 9.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -112.13 11.81 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 m -44.54 -68.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -63.0 137.11 58.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -42.49 -50.29 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' ASP . 56.3 m -37.15 -50.69 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -83.79 -35.56 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -39.02 -47.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -74.82 -45.66 41.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' ALA . 9.7 mmt-85 -36.68 -43.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -81.43 -52.79 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -47.65 -64.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.4 m -39.92 -47.92 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 111' ' ' CYS . 1.8 mmt -59.8 -61.51 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 120' ' ' ALA . 7.6 t -36.5 -55.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -40.78 -42.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' HIS . 3.0 ttp180 -90.72 -68.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' ARG . 2.5 m-70 -34.38 -65.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.563 ' CZ ' HG12 ' A' ' 137' ' ' ILE . 28.9 m-85 -94.18 -62.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.1 163.1 14.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 44.8 p -66.3 -46.11 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 119' ' ' VAL . 29.1 m -51.61 -39.74 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.446 ' N ' HG21 ' A' ' 118' ' ' VAL . 99.4 t -73.04 -56.88 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 111' ' ' CYS . . . -51.26 -61.38 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -38.24 -51.91 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 88.2 m -43.63 -46.59 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.6 mm -55.61 -41.95 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.68 -45.55 89.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 70.0 p -66.67 -40.26 88.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -52.07 119.2 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -55.6 176.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 55.3 m -77.46 -55.98 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -39.16 -48.39 1.73 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -39.97 -44.15 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 14.6 m-85 -52.08 157.46 2.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.674 0.75 . . . . 0.0 110.837 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.72 146.89 83.35 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.385 -0.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.4 mt -92.43 119.01 31.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -113.12 107.59 16.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.71 160.07 15.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.3 mt -124.29 108.06 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.563 HG12 ' CZ ' ' A' ' 115' ' ' PHE . 3.7 mp -95.78 104.45 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 139' ' ' GLY . 5.5 ttp -97.91 -68.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.442 ' C ' ' HE3' ' A' ' 140' ' ' LYS . . . 37.22 -155.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.442 ' HE3' ' C ' ' A' ' 139' ' ' GLY . 0.0 OUTLIER -111.13 177.99 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.424 ' HG3' ' CB ' ' A' ' 48' ' ' PHE . 23.3 ttp180 -47.13 -41.42 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.9 m -97.51 -53.71 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.6 m -61.16 158.77 13.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -151.08 114.44 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -153.25 133.63 13.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.405 ' O ' ' CG2' ' A' ' 146' ' ' VAL . 3.7 m -72.19 125.21 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.0 mp -83.82 -28.4 28.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -147.93 151.36 35.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.8 110.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 24.9 mt -96.09 118.82 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -52.22 -58.27 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 150.93 -17.58 0.94 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -79.85 8.75 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.4 t -69.92 157.22 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 158' ' ' GLU . 16.8 p -95.06 137.04 34.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.1 t -39.51 -48.9 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.39 -38.95 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 155' ' ' THR . 19.6 mm-40 -71.2 -42.07 69.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.9 mt -46.01 -59.02 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 38.8 tpp -45.69 -45.51 14.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -56.52 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -50.45 -52.25 39.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.79 -55.62 31.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.2 mmt -50.48 -45.62 56.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.9 -56.61 17.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -40.36 -49.94 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 3.3 mmt -66.95 -60.85 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -41.82 -42.55 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 26.5 mt -70.4 -45.24 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.27 -63.69 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.415 ' CG2' ' H ' ' A' ' 172' ' ' ALA . 0.7 OUTLIER -41.99 -63.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.415 ' H ' ' CG2' ' A' ' 171' ' ' THR . . . -54.9 -47.69 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 174' ' ' GLN . 11.4 tt0 -46.79 -51.59 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 173' ' ' GLN . 9.6 mm-40 -36.0 -54.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -62.59 138.36 58.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 177' ' ' ASP . 5.9 pt-20 -73.68 -38.98 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 176' ' ' GLU . 5.3 t0 -95.96 -62.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 75.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -141.42 135.74 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.77 102.78 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -70.44 -3.92 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -65.48 -49.2 69.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -70.84 -46.45 62.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.1 -52.86 29.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -55.35 -46.43 76.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.16 -45.45 61.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -69.09 -43.9 73.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mt -45.77 -23.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.48 -61.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.501 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.3 t80 -49.52 -39.53 34.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.8 m -57.3 -64.0 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.67 -47.7 50.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.74 -59.32 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -42.49 -37.22 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' GLY . 40.3 t -62.07 -61.12 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 m -59.0 -45.62 90.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -42.89 -60.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -96.91 -64.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' SER . . . -176.64 170.93 43.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 3.9 m-20 -60.18 -43.97 95.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -52.44 109.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 1.5 p80 -168.11 152.52 6.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.699 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 54.3 Cg_endo -69.74 151.84 69.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.97 102.62 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -77.02 122.87 25.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.97 125.56 24.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.8 mm -89.22 117.31 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.88 -159.51 27.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.2 p -83.03 177.88 8.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.382 . . . . 0.0 110.831 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 9.3 tp -81.06 -41.77 22.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -53.49 -42.12 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.6 -53.24 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.77 -56.77 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' CE1' HD21 ' A' ' 58' ' ' LEU . 45.0 m-85 -46.79 -38.9 10.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 49.6 mt-30 -74.48 -61.58 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -46.9 -19.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.25 -51.24 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 5.0 m-85 -97.58 -65.14 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.474 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 3.3 m-85 -32.84 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 48' ' ' PHE . 17.8 m -59.77 171.77 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -57.36 164.07 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.35 -35.27 79.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -72.31 -21.61 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -107.65 11.39 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -65.44 139.96 58.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 89' ' ' GLN . 49.5 mtmt -155.73 177.87 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 138' ' ' MET . 22.7 mt -111.77 154.65 24.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.568 HD21 ' CE1' ' A' ' 44' ' ' PHE . 28.9 tp -104.4 154.09 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.57 ' HB3' ' CE1' ' A' ' 134' ' ' PHE . . . -147.67 114.24 6.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.21 129.55 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -114.54 113.79 24.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.571 HD11 ' CE2' ' A' ' 131' ' ' PHE . 52.3 mt -87.42 113.75 23.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -98.53 122.19 41.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 13.9 t-80 -129.19 142.88 50.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.67 -59.2 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 18.8 mm-40 -39.16 -44.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.5 t -55.64 157.34 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.2 m -108.31 -26.15 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 58.5 mt -80.2 12.32 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 m -85.51 -41.5 15.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.3 p-10 -73.36 -45.83 52.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' GLN . 33.3 m -68.96 -51.15 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.65 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 2.4 t80 -47.78 -48.71 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.403 ' CA ' ' HB2' ' A' ' 78' ' ' LEU . 32.1 p -77.35 -46.21 23.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 23.1 t -66.29 -14.53 62.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' VAL . 55.4 mm-40 -108.55 -38.56 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.65 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 12.7 mtt -100.75 -50.25 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' HB2' ' CA ' ' A' ' 74' ' ' CYS . 73.4 mt -80.97 17.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.401 ' HB3' ' C ' ' A' ' 75' ' ' SER . 6.7 p -104.83 -22.38 13.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.09 122.71 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 85' ' ' SER . 27.9 mm-40 -56.04 -40.33 73.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -60.17 -42.43 94.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.466 HG13 ' CG2' ' A' ' 156' ' ' VAL . 34.7 mm -68.17 -58.33 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.429 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 35.3 m -61.44 -26.86 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 28.6 t -74.51 -55.32 6.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.639 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 5.0 t80 -66.76 -41.91 87.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' PHE . 14.1 tp -61.28 -35.09 76.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.7 t -83.83 -37.06 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.425 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 8.9 mt-30 -76.6 -61.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.639 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 5.9 m-80 -67.24 -40.61 86.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 163' ' ' LEU . 4.0 m-85 -116.96 165.5 13.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -95.18 116.29 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.4 m -74.33 135.96 42.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.4 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 3.1 t90 -156.62 118.08 3.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -116.9 150.94 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -144.91 125.55 14.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -86.85 127.67 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.9 mp -116.37 8.62 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.6 m -40.51 -62.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.408 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -68.18 125.56 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -40.18 -43.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.5 t -46.48 -52.08 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 104' ' ' ARG . 67.9 m-80 -65.83 -52.76 47.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.831 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 103' ' ' ASN . 20.6 ttp180 -37.53 -46.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.68 -47.84 61.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -43.48 -64.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.407 ' HA ' ' CG ' ' A' ' 110' ' ' MET . 78.6 t80 -45.86 -58.33 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.7 mt -46.6 -39.14 10.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 95.1 m -73.26 -65.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.407 ' CG ' ' HA ' ' A' ' 107' ' ' PHE . 8.0 ptp -49.58 -29.38 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.65 -41.56 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.486 ' HA ' ' CA ' ' A' ' 116' ' ' GLY . 42.5 t-20 -73.03 -51.9 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -43.36 22.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -88.91 -70.55 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.459 ' CB ' HG12 ' A' ' 119' ' ' VAL . 18.6 m-85 -73.49 -69.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.486 ' CA ' ' HA ' ' A' ' 112' ' ' ASN . . . 147.06 177.96 22.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.7 t -73.18 -46.35 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.5 m -39.35 -36.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.459 HG12 ' CB ' ' A' ' 115' ' ' PHE . 3.0 p -91.59 -42.98 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.419 ' N ' HG11 ' A' ' 119' ' ' VAL . . . -52.36 -46.8 66.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -48.3 -55.76 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 93.6 m -46.62 -46.01 19.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 26.8 mm -58.58 -41.51 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 124' ' ' ARG . 24.1 ttm105 -59.76 -46.58 88.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 56.8 p -66.68 -40.36 88.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -52.12 114.33 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -57.04 171.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.3 m -64.98 -57.23 9.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.8 OUTLIER -44.86 -48.49 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 129' ' ' ASP . 73.2 mm-40 -36.54 -33.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 133' ' ' LEU . 5.3 m-85 -65.02 155.54 83.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.77 161.85 85.36 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.32 -0.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.583 HD11 ' CE1' ' A' ' 131' ' ' PHE . 18.4 mt -114.08 105.81 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 11.0 t80 -93.65 118.56 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.406 HD13 ' N ' ' A' ' 135' ' ' LEU . 5.9 mp -122.22 142.87 49.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 67.2 mt -110.63 130.9 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 138' ' ' MET . 4.8 mp -124.07 142.12 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.61 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 4.8 ttp -87.65 -41.82 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.584 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . 88.94 139.21 6.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.44 ' HA ' ' CE ' ' A' ' 140' ' ' LYS . 0.1 OUTLIER -154.24 162.2 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.888 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.7 tpt85 -62.33 -44.96 95.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.7 t -66.54 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.1 m -156.93 166.32 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -94.69 143.97 26.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -141.08 130.61 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 1.9 m -73.14 146.02 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.3 mp -107.78 -32.17 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -135.85 142.41 44.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 91.9 t -127.61 105.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.443 ' CG2' HG21 ' A' ' 154' ' ' THR . 58.9 mt -96.54 120.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 132' ' ' PRO . 8.7 mp0 -62.04 -69.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 168.64 -23.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -81.03 16.53 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' THR . . . . . 0.443 HG21 ' CG2' ' A' ' 150' ' ' ILE . 11.2 t -75.11 161.88 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 48.1 p -99.07 143.92 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.466 ' CG2' HG13 ' A' ' 83' ' ' ILE . 12.4 p -46.2 -38.45 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -60.35 -43.59 96.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 161' ' ' MET . 7.4 mm-40 -53.59 -48.27 69.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 30.9 mt -45.41 -51.98 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 3.8 mmt -46.88 -57.52 4.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 158' ' ' GLU . 5.3 ptm -63.43 -36.21 82.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 161' ' ' MET . 35.6 mmt-85 -58.83 -41.53 87.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 91' ' ' PHE . 65.4 mt -74.95 -48.38 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 13.5 mtt -58.96 -54.66 44.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.19 -40.68 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -60.07 -28.05 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.4 mmt -74.89 -55.74 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 8.4 pt-20 -56.26 -37.27 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.48 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 86.1 mt -72.19 -58.35 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.49 ' CE1' ' HG2' ' A' ' 174' ' ' GLN . 2.1 t80 -38.82 -63.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 30.3 p -43.63 -53.69 5.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.9 81.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -65.81 -55.25 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.49 ' HG2' ' CE1' ' A' ' 170' ' ' PHE . 0.0 OUTLIER -65.68 152.35 44.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . 0.576 ' H ' ' NE2' ' A' ' 175' ' ' GLN . 1.6 pm0 -106.93 159.43 16.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -153.9 109.55 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -74.84 -50.88 15.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.843 0.354 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -95.5 -61.36 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.54 108.38 13.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -117.84 119.28 34.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -79.36 -63.54 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.58 ' OE2' ' CZ3' ' A' ' 96' ' ' TRP . 6.6 mm-40 -39.2 -49.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.18 -69.32 0.91 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -45.1 -43.2 9.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.38 89.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 66.0 mt -70.45 -40.72 73.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.7 mt -50.23 -45.98 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -61.8 -45.56 93.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -62.1 -35.63 79.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.7 p -70.65 -53.61 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.6 -36.47 66.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -78.64 -41.59 31.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.5 t80 -56.77 -52.1 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' GLY . 11.0 p -48.34 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 m -56.85 -51.92 67.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -39.72 -61.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -95.42 -65.54 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 178.89 170.74 41.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -64.1 -44.12 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 103.64 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -167.74 152.76 6.71 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.612 0.72 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.52 6.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.531 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 31.1 m -52.56 173.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 20.9 m-85 -141.37 132.95 27.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.17 115.72 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.9 mm -72.82 102.68 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.17 -172.97 35.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.1 t -89.23 156.22 18.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.547 ' HG ' ' CE2' ' A' ' 44' ' ' PHE . 25.0 tp -57.7 -46.07 84.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -46.69 -40.09 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -77.18 -56.9 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -37.49 -37.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE2' ' HG ' ' A' ' 40' ' ' LEU . 20.7 m-85 -56.94 -46.31 82.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 5.0 pt20 -56.65 -51.32 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 6.7 tt0 -53.6 -17.84 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.1 -47.21 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CZ ' ' HA3' ' A' ' 139' ' ' GLY . 0.9 OUTLIER -97.89 -68.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 7.2 m-85 -33.8 -34.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' PHE . 18.5 m -56.99 173.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HE2' ' NH2' ' A' ' 53' ' ' ARG . 13.9 mtpp -52.7 150.18 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -27.29 68.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' NH2' ' HE2' ' A' ' 51' ' ' LYS . 30.3 mtm105 -86.57 -42.11 13.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -80.99 12.94 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 27.2 mtt-85 -54.71 169.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 33.6 mtmt -165.27 174.83 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' A' ' 91' ' ' PHE . 79.4 mt -112.4 163.59 14.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.545 HD21 ' CE1' ' A' ' 44' ' ' PHE . 33.4 tp -108.36 154.87 21.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.15 106.88 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.6 mt -83.84 132.34 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -117.27 102.16 9.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 107' ' ' PHE . 45.6 mt -83.02 112.42 19.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -88.22 147.48 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.0 t-80 -157.85 124.68 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.79 -55.28 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 20.4 mt-10 -37.55 -49.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -52.73 159.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 69' ' ' LEU . 30.8 m -98.01 -41.23 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.166 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' N ' HG23 ' A' ' 68' ' ' VAL . 15.1 mt -61.01 -26.49 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.406 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 97.2 m -60.62 -46.22 91.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -52.36 -57.38 9.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 74' ' ' CYS . 0.3 OUTLIER -69.83 -69.04 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 5.5 t80 -34.25 -32.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.5 m -58.46 -61.66 2.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.407 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 88.2 p -96.38 1.04 51.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -97.93 -54.47 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -89.02 -72.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 94.0 mt -40.83 -22.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.1 m -80.77 16.82 1.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -89.68 103.36 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -51.05 -22.69 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.9 p -83.24 -44.54 14.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 51.1 mm -69.4 -44.45 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.452 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 12.0 m -65.45 -18.29 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -92.8 -50.56 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.49 ' CE1' ' HB2' ' A' ' 90' ' ' ASN . 5.8 t80 -72.49 -29.85 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 83' ' ' ILE . 63.0 tp -62.53 -36.77 83.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.1 p -92.76 -41.0 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.15 -48.5 81.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.49 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 9.4 m-80 -93.06 -51.41 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.512 ' CZ ' HD11 ' A' ' 57' ' ' LEU . 3.2 m-85 -100.19 178.15 4.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.7 mm -109.08 121.06 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -73.13 131.32 41.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.459 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 16.3 t90 -157.94 108.15 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.65 151.99 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CZ3' ' OE2' ' A' ' 13' ' ' GLU . 73.4 t-105 -149.82 104.85 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.5 107.99 4.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -113.3 9.4 18.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.2 m -45.24 -61.36 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.5 154.2 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.33 -44.03 97.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 m -53.43 -60.54 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 104' ' ' ARG . 55.9 m-80 -64.14 -44.47 92.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -34.35 -56.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.42 -35.39 60.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.33 -43.18 53.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' ' 62' ' ' LEU . 5.4 t80 -60.92 -45.9 92.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.61 -36.1 61.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.0 m -59.13 -26.36 64.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.3 mtt -87.02 -51.03 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.498 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 12.2 p -51.36 -24.63 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 117' ' ' SER . 30.9 t30 -85.96 -59.34 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -36.49 56.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.499 ' CD2' HD21 ' A' ' 40' ' ' LEU . 88.2 m-70 -80.86 -68.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.478 ' CE1' HG12 ' A' ' 137' ' ' ILE . 5.7 m-85 -81.79 -66.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.33 178.88 25.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.428 ' N ' ' OD1' ' A' ' 112' ' ' ASN . 3.8 m -73.94 -52.81 11.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 117' ' ' SER . 88.0 t -36.79 -52.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 120' ' ' ALA . 8.0 p -76.24 -52.79 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.498 ' CB ' ' SG ' ' A' ' 111' ' ' CYS . . . -39.38 -28.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 119' ' ' VAL . 51.6 tt0 -68.39 -50.04 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 123' ' ' ILE . 1.2 t -37.72 -36.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.416 ' N ' HG22 ' A' ' 122' ' ' THR . 59.9 mt -77.23 -49.96 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -42.61 -35.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 71.7 p -76.46 -37.89 56.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -54.86 118.5 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -64.74 178.2 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.6 m -76.37 -46.06 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.9 -36.54 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -60.97 -42.0 97.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 133' ' ' LEU . 17.7 m-85 -52.06 156.78 2.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.8 Cg_endo -69.74 148.81 87.44 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.367 -0.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.566 HD13 ' CE1' ' A' ' 131' ' ' PHE . 12.3 mt -98.38 106.66 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -95.61 107.4 19.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.89 167.29 9.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 48.1 mt -133.63 118.91 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.478 HG12 ' CE1' ' A' ' 115' ' ' PHE . 3.6 mp -112.89 148.25 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.9 ttt -91.39 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.533 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 115.28 134.24 5.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 142' ' ' SER . 40.4 mttt -149.53 124.53 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.21 -25.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 140' ' ' LYS . 12.3 t -86.5 -66.45 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 5.5 m -156.62 123.33 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 1.2 p30 -68.03 161.31 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.72 158.66 44.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 67.1 t -93.97 125.75 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 35.9 mt -86.21 -67.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -109.0 154.98 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 71.6 t -131.72 115.6 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 55.8 mt -105.05 125.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.25 -57.07 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 149.87 -24.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -72.05 -1.99 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 13.3 t -59.79 159.85 8.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.5 p -107.6 153.26 23.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.444 HG12 ' CG1' ' A' ' 83' ' ' ILE . 66.2 t -42.37 -51.38 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -48.67 -51.56 27.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -58.18 -44.57 88.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 36.8 mt -51.92 -46.19 64.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 8.5 mmt -50.36 -49.91 52.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.2 mtt -60.84 -58.77 7.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -43.81 -61.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.93 -54.84 41.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.6 mmm -42.86 -60.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 167' ' ' MET . . . -53.25 -64.49 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.82 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 165' ' ' ALA . 4.7 tmm? -70.06 -67.37 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 1.4 pp20? -50.71 -36.36 35.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.428 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 92.9 mt -52.6 -39.89 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.41 ' CD1' ' C ' ' A' ' 170' ' ' PHE . 7.5 t80 -77.12 -58.48 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 8.8 m -44.14 -24.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -86.74 -51.32 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 174' ' ' GLN . 3.1 pt20 -53.87 -44.22 70.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.475 ' N ' ' HG3' ' A' ' 173' ' ' GLN . 16.0 pt20 -66.65 158.83 29.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -115.73 161.85 18.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -91.44 -45.31 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.63 -55.97 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.47 165.59 11.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.44 136.03 33.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -102.54 118.75 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -91.69 -52.73 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.12 -50.28 55.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.87 -58.93 5.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.73 -50.07 73.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.8 43.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' LEU . 88.4 mt -65.46 -54.36 29.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' LEU . 27.8 mt -36.34 -54.93 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -55.22 -44.77 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' LEU . 42.0 t80 -62.93 -51.23 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -61.67 -64.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.42 -41.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -79.68 -37.81 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -59.33 -40.95 87.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -53.14 -54.85 29.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -73.14 -35.21 66.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -41.68 -63.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.566 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 5.1 m-85 -98.16 -42.56 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 159.04 146.8 4.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -41.27 -47.54 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 m -52.09 103.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -168.36 153.51 6.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.573 0.702 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.5 Cg_endo -69.75 121.99 8.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.9 p -56.79 114.55 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' CD1' HG22 ' A' ' 93' ' ' THR . 76.4 m-85 -88.42 135.3 33.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.29 118.71 9.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.4 mm -82.02 109.33 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.43 -155.54 26.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -94.17 143.41 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD11 ' CE3' ' A' ' 94' ' ' TRP . 11.9 tp -50.26 -50.82 48.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.08 -47.95 4.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . -54.55 -54.76 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . . . -34.09 -36.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' ALA . 62.8 m-85 -67.5 -57.87 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.496 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 16.7 pt20 -61.0 -40.38 93.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 45' ' ' GLN . 4.0 tp10 -62.09 -8.26 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.57 -40.18 3.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 49' ' ' TYR . 19.8 m-85 -98.03 -70.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 7.5 m-85 -33.55 -40.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.8 m -52.22 162.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -56.18 174.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.13 -33.02 71.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -71.47 -19.88 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -110.01 17.77 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -64.25 134.5 54.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 9.2 mtmp? -153.86 177.94 10.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.572 HD13 ' CE2' ' A' ' 91' ' ' PHE . 85.7 mt -112.44 168.51 9.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 43' ' ' ALA . 24.9 tp -107.49 140.15 40.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -133.19 110.18 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.2 mt -89.12 134.16 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -121.44 106.96 11.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.528 HD13 ' CE2' ' A' ' 107' ' ' PHE . 55.4 mt -84.61 118.72 24.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -101.77 136.63 41.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 1.6 t-80 -143.31 106.32 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 17.9 t0 -54.67 -61.27 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 31.7 mm-40 -33.99 -44.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 t -56.02 156.28 5.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.8 m -98.48 -29.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.4 mt -68.08 -42.06 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.0 m -48.74 -32.3 8.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -67.91 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.409 ' CG2' ' H ' ' A' ' 73' ' ' PHE . 16.4 m -62.42 -55.24 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.601 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 9.1 t80 -43.53 -26.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.566 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 14.2 t -61.6 -60.16 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.3 p -94.52 -1.29 53.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -88.53 -56.12 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.601 ' SD ' ' CE2' ' A' ' 73' ' ' PHE . 11.8 mtt -111.3 -34.73 6.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 mt -79.25 16.15 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.7 p -99.62 -33.42 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.04 116.96 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.32 -41.74 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 t -56.58 -34.66 67.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.4 mt -80.71 -68.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 29.1 m -43.45 -23.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 t -90.13 -50.88 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.508 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 2.2 t80 -58.59 -42.32 87.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 91' ' ' PHE . 16.2 tp -59.1 -36.6 75.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.5 p -82.63 -35.72 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -71.99 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 5.3 m-80 -74.85 -51.57 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.572 ' CE2' HD13 ' A' ' 57' ' ' LEU . 3.9 m-85 -100.05 178.4 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.415 HD12 ' NZ ' ' A' ' 56' ' ' LYS . 35.0 mm -109.68 109.6 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.569 HG22 ' CD1' ' A' ' 35' ' ' PHE . 24.0 m -75.29 131.13 40.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.558 ' CE3' HD11 ' A' ' 40' ' ' LEU . 62.3 t90 -147.16 125.66 12.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.538 ' HB3' ' CE1' ' A' ' 35' ' ' PHE . . . -115.39 153.4 31.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.52 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 76.1 t-105 -149.25 102.59 3.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 4.3 p-10 -68.44 105.15 2.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.432 ' HA ' ' CB ' ' A' ' 103' ' ' ASN . 2.0 pt? -110.8 17.63 20.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.9 m -49.69 -47.56 50.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -66.99 127.99 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.47 -47.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.3 m -49.69 -57.39 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.432 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 33.9 m120 -60.56 -51.45 69.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -43.14 -45.78 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.93 80.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -50.1 -57.16 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' ' 62' ' ' LEU . 72.0 t80 -49.84 -45.28 50.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.1 mt -70.6 -24.47 62.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 52.5 m -79.63 -35.35 39.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 113' ' ' ARG . 23.8 ptm -80.64 -50.28 10.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 120' ' ' ALA . 22.9 p -38.95 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' MET . 17.2 t-20 -75.44 -41.72 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 110' ' ' MET . 13.2 mmt180 -76.19 -37.92 57.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -78.07 -69.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -78.18 -68.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.81 -173.87 25.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.3 t -75.42 -55.18 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.397 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 23.9 m -40.05 -41.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 120' ' ' ALA . 95.5 t -82.95 -59.22 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 119' ' ' VAL . . . -34.21 -37.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 119' ' ' VAL . 12.7 tm0? -58.04 -50.28 73.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 123' ' ' ILE . 1.2 t -46.09 -28.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.449 ' N ' HG22 ' A' ' 122' ' ' THR . 62.6 mt -90.26 -47.25 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -42.86 -39.81 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 77.4 p -71.39 -40.24 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.513 ' OE1' ' NE2' ' A' ' 151' ' ' GLN . 23.7 mm-40 -52.05 128.4 24.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -90.86 178.14 6.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 95.0 m -58.13 -48.51 80.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.8 OUTLIER -55.86 -50.88 69.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 129' ' ' ASP . 5.9 mm100 -36.42 -45.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.524 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 80.1 m-85 -52.39 154.63 4.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.75 -177.08 13.76 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.336 -0.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.3 mt -134.68 108.23 7.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -93.77 109.54 21.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.55 154.06 28.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.2 mt -114.93 111.53 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.445 ' CD1' HG13 ' A' ' 146' ' ' VAL . 13.9 mm -92.28 133.66 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -157.89 122.98 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 154.65 -149.67 21.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -99.81 177.49 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -58.86 -29.63 67.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.435 ' N ' ' HG2' ' A' ' 141' ' ' ARG . 58.0 p -109.6 -35.89 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 9.1 t -79.14 11.24 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -52.37 113.88 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -144.15 135.41 25.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 146' ' ' VAL . 3.2 m -72.35 120.7 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.33 -34.25 65.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -142.95 152.2 41.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 100.0 t -130.73 114.17 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 20.3 mt -99.64 123.28 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.513 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 7.8 mm-40 -62.48 -63.34 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 161.99 -23.81 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 153' ' ' ASN . 5.6 p30 -81.74 15.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 15.2 t -65.99 172.34 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.8 p -105.03 143.08 33.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.401 ' CG2' ' HG2' ' A' ' 77' ' ' MET . 59.4 t -46.57 -51.49 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -54.03 -44.84 71.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -55.95 -47.02 78.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 77' ' ' MET . 26.9 mt -45.33 -55.87 5.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 1.6 mmt -50.33 -48.77 55.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 10.2 mtm -60.77 -46.69 89.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -49.73 -54.45 18.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.29 -60.62 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 23.6 mmm -43.88 -53.37 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 166' ' ' ALA . . . -55.91 -60.66 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.63 -36.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 165' ' ' ALA . 82.2 mmm -67.89 -68.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 8.8 pt-20 -48.48 -41.01 28.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.457 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 78.7 mt -60.49 -52.23 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 174' ' ' GLN . 11.8 t80 -40.3 -61.77 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.5 m -41.87 -51.24 4.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -63.1 -48.38 78.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.55 -47.53 69.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 170' ' ' PHE . 54.0 mm-40 -62.8 147.56 49.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -52.67 152.0 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -122.54 110.55 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -55.05 -54.02 48.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 49.7 mm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -114.78 169.23 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.35 107.04 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -69.79 105.64 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -52.91 -50.84 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.01 -43.79 74.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' ASP . . . -39.68 -71.02 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.9 m-20 -35.33 -52.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.84 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.65 -56.91 13.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.1 mt -55.45 -43.21 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 mt -49.74 -44.28 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -61.94 -48.24 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.53 -44.95 96.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -63.61 -42.2 98.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.22 -51.86 58.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 53.0 mm-40 -64.17 -47.21 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -57.63 -46.21 84.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 t -43.51 -57.03 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -71.78 -49.55 37.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 17.8 mtt85 -42.47 -57.9 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.539 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 40.5 m-85 -92.37 -65.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.83 165.81 31.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.01 -36.35 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -63.24 107.14 1.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -167.36 155.1 8.5 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.595 0.712 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 53.3 Cg_endo -69.82 132.29 22.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.371 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.0 t -57.98 102.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -78.12 123.36 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -62.72 110.47 1.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -71.84 102.23 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.35 -164.41 37.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.1 p -93.14 162.67 13.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.8 -41.58 57.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -71.92 -49.07 40.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.53 -48.77 27.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.12 76.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.57 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 10.2 m-85 -46.94 -33.81 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.485 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 83.6 mt-30 -64.86 -58.98 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.55 -16.87 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.7 -50.39 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 139' ' ' GLY . 7.2 m-85 -97.98 -65.18 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.485 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 4.7 m-85 -33.07 -38.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' PHE . 13.9 m -52.2 178.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.139 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -77.87 148.89 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.487 ' N ' ' HG3' ' A' ' 51' ' ' LYS . . . -39.48 -42.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -69.05 -33.87 74.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -95.68 18.06 13.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 37.5 mtp85 -67.27 149.44 50.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 27.3 mtmt -162.08 175.56 11.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 138' ' ' MET . 80.5 mt -114.09 154.06 28.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.57 HD21 ' CZ ' ' A' ' 44' ' ' PHE . 12.0 tp -106.47 153.38 22.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' N ' ' HG ' ' A' ' 58' ' ' LEU . . . -148.28 112.84 5.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.13 124.71 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -107.32 102.22 11.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.467 HD23 ' CZ ' ' A' ' 107' ' ' PHE . 84.7 mt -67.37 135.33 53.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -125.52 115.46 20.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 131' ' ' PHE . 12.4 t-80 -118.18 102.73 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.87 -55.91 14.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 12.5 mt-10 -38.3 -37.21 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.7 t -65.53 158.21 27.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -98.1 -22.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 30.7 mt -77.61 -10.58 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -63.56 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -44.28 -48.02 9.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 76' ' ' GLN . 13.0 m -70.39 -56.94 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 11.7 t80 -53.39 -15.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.505 ' CB ' ' CE2' ' A' ' 28' ' ' TYR . 14.8 m -77.68 -54.04 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.404 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 57.5 p -95.77 -3.59 45.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' VAL . 45.0 mm-40 -101.06 -49.23 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.586 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.45 -69.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 10.5 mt -41.43 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -81.93 17.96 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -81.84 102.11 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.21 -37.22 82.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.5 m -68.35 -31.66 71.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' VAL . 81.6 mt -81.97 -68.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 83' ' ' ILE . 29.3 m -37.29 -41.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 56.4 p -60.37 -55.28 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -72.08 -59.41 2.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' PHE . 14.9 tp -42.32 -32.13 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.7 t -90.32 -35.62 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -69.85 -57.82 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -81.74 -45.92 14.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 87' ' ' LEU . 3.3 m-85 -104.87 175.85 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.3 mm -109.45 123.76 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 33' ' ' PRO . 18.3 m -78.71 117.64 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -142.72 116.29 9.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -115.66 156.41 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -144.36 139.3 28.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.4 122.52 38.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 99' ' ' THR . 5.4 mp -100.85 -21.82 15.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' LEU . 15.5 m -33.05 -44.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -70.06 118.88 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -51.11 -58.33 6.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 p -46.49 -33.94 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.457 ' O ' ' C ' ' A' ' 104' ' ' ARG . 1.9 m-80 -77.93 -50.5 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 103' ' ' ASN . 12.2 ttp180 -33.92 -53.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.22 -45.19 91.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ASN . 47.1 mtp85 -47.36 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.486 ' CE1' ' SG ' ' A' ' 111' ' ' CYS . 90.7 t80 -40.86 -54.27 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 40.9 mt -55.45 -41.49 72.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.3 m -70.94 -65.34 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 9.0 ptt? -49.04 -43.27 40.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 107' ' ' PHE . 16.1 m -52.28 -60.32 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.407 ' HA ' ' CA ' ' A' ' 116' ' ' GLY . 1.5 t30 -38.94 -40.06 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -43.84 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 111' ' ' CYS . 16.4 m170 -95.92 -67.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.402 ' CB ' HG12 ' A' ' 119' ' ' VAL . 1.8 m-85 -65.91 -68.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.407 ' CA ' ' HA ' ' A' ' 112' ' ' ASN . . . 143.14 -176.55 22.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.0 p -79.28 -48.85 13.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.7 t -48.98 -54.58 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.402 HG12 ' CB ' ' A' ' 115' ' ' PHE . 5.0 p -59.95 -47.92 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.18 -57.37 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -38.51 -57.73 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.9 m -46.24 -41.72 13.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.8 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -29.53 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.7 p -81.44 4.91 19.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -84.55 109.4 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -53.2 170.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 129' ' ' ASP . 36.3 m -61.02 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.4 OUTLIER -37.52 -50.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' ASP . 29.4 mm100 -36.84 -54.55 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.524 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 80.4 m-85 -52.23 154.77 3.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.79 -177.19 14.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.329 0.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 77.9 mt -143.04 104.84 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -90.93 119.19 30.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.02 146.55 40.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.411 HG22 ' CB ' ' A' ' 166' ' ' ALA . 57.0 mt -114.96 127.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 137' ' ' ILE . 5.0 mp -122.07 134.96 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.441 ' HE1' ' CG ' ' A' ' 173' ' ' GLN . 4.3 ptt? -116.81 -32.36 5.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.603 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . . . -46.47 174.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 143' ' ' SER . 7.2 mtmp? -105.91 178.28 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 142' ' ' SER . 26.2 ptt-85 -44.33 -46.84 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 1.5 t -64.4 -65.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 140' ' ' LYS . 19.9 m -105.32 122.92 46.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -130.62 135.92 48.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -156.37 144.02 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 146' ' ' VAL . 2.9 m -79.62 120.13 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.413 ' N ' ' CD2' ' A' ' 147' ' ' LEU . 2.5 mm? -72.78 -35.94 67.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -146.8 152.21 38.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.17 106.38 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 162' ' ' ARG . 19.9 mt -92.1 139.88 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.447 ' N ' HG21 ' A' ' 150' ' ' ILE . 91.1 mt-30 -77.69 -51.84 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 138.95 -25.3 2.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -75.38 0.8 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.958 0.408 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' THR . . . . . 0.454 HG22 ' CG2' ' A' ' 150' ' ' ILE . 12.3 t -73.87 171.23 13.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.167 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 67.4 p -87.76 136.89 32.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.8 p -42.36 -33.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.32 -43.18 78.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -54.44 -45.0 72.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.435 HD12 ' CZ ' ' A' ' 73' ' ' PHE . 23.3 mt -47.59 -46.61 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 33.5 tpp -48.66 -58.04 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 162' ' ' ARG . 10.4 mtt -51.18 -56.63 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 162' ' ' ARG . 11.9 mmp_? -36.58 -51.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 23.5 mt -57.5 -55.54 33.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.5 mmt -51.04 -50.56 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -42.85 -49.41 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . 0.411 ' CB ' HG22 ' A' ' 136' ' ' ILE . . . -55.79 -36.21 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 55.4 mmm -71.77 -56.36 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -47.47 -40.97 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 69.8 mt -77.21 -50.81 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 170' ' ' PHE . 2.1 t80 -44.45 -52.73 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.559 HG22 ' N ' ' A' ' 172' ' ' ALA . 4.3 t -51.73 -27.98 13.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.559 ' N ' HG22 ' A' ' 171' ' ' THR . . . -90.32 -36.56 14.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.441 ' CG ' ' HE1' ' A' ' 138' ' ' MET . 0.1 OUTLIER -61.78 -42.4 98.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -59.0 161.02 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -100.51 130.68 46.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -70.99 -56.18 6.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -53.62 -61.3 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 18.5 mm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -115.27 172.62 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.53 164.36 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -81.5 15.55 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' GLU . 68.2 m-20 -57.1 -57.38 12.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -34.75 -49.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.87 -63.85 1.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -39.99 -58.49 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.1 -48.26 22.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.12 -53.89 46.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 mt -40.33 -40.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.67 -43.91 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.1 t80 -67.23 -42.85 83.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.2 p -57.57 -53.85 53.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -60.6 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -52.73 -41.45 64.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.1 t80 -63.3 -45.68 90.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 t -47.12 -51.26 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -76.62 -46.67 25.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -47.65 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 52.7 m-85 -90.43 -67.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.05 -167.79 40.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -101.24 0.78 38.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.4 m -81.8 18.0 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.32 153.43 40.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 139.7 40.84 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.658 2.238 . . . . 0.0 112.327 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.94 114.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' CD1' HG21 ' A' ' 93' ' ' THR . 73.7 m-85 -85.19 140.16 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 t80 -73.96 120.52 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -81.35 115.45 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.35 -157.74 27.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.0 t -97.09 152.48 18.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.531 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 66.1 tp -51.86 -45.46 64.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -42.43 -48.75 5.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -65.01 -55.03 21.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -36.09 -29.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.554 ' CE1' HD23 ' A' ' 58' ' ' LEU . 34.0 m-85 -71.53 -57.24 4.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.473 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -54.9 -38.28 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -63.21 -12.64 29.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.91 -57.34 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' VAL . 9.3 m-85 -94.45 -70.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.473 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 25.9 m-85 -34.74 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -52.08 170.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -52.36 149.31 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.5 -42.78 74.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -76.79 -38.33 54.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -83.06 17.39 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.477 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 15.7 mtm180 -58.65 143.07 47.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -147.21 174.79 11.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.52 HD11 ' CE2' ' A' ' 91' ' ' PHE . 98.3 mt -112.93 170.52 8.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.554 HD23 ' CE1' ' A' ' 44' ' ' PHE . 16.7 tp -119.51 138.47 53.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.57 114.6 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.4 HG12 ' CD1' ' A' ' 137' ' ' ILE . 26.5 mm -79.62 138.64 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -132.67 124.88 29.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.525 HD21 ' CE2' ' A' ' 107' ' ' PHE . 42.0 mt -102.84 117.3 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -98.0 136.07 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.4 t-80 -143.5 118.75 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.2 -53.88 46.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.53 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 12.9 mm-40 -44.23 -47.5 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -58.45 117.32 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -62.26 -30.29 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -58.35 -43.78 88.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.5 m -56.22 -43.37 78.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -46.11 -58.32 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' GLN . 29.7 m -75.46 -54.47 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 77' ' ' MET . 6.2 t80 -38.93 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' CE2' ' A' ' 28' ' ' TYR . 2.4 m -67.55 -51.19 53.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.473 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 17.0 m -95.34 -1.24 51.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' VAL . 90.6 mm-40 -105.59 -47.48 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.584 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.99 -51.51 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 68.3 mt -77.54 17.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 75' ' ' SER . 10.3 p -103.23 -34.08 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.62 102.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -56.17 -40.32 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 m -62.97 -44.42 96.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 45.1 mt -68.27 -64.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 20.8 m -44.23 -33.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.0 m -78.05 -44.37 26.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -62.25 -43.69 98.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 91' ' ' PHE . 6.3 tp -64.87 -51.89 59.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 99.4 p -61.99 -43.88 97.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.1 -61.32 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -75.45 -62.27 1.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.52 ' CE2' HD11 ' A' ' 57' ' ' LEU . 3.1 m-85 -86.33 176.67 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.0 mm -111.01 105.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.571 HG21 ' CD1' ' A' ' 35' ' ' PHE . 22.1 m -69.73 124.54 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.531 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 7.7 t90 -142.51 108.4 5.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.545 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -100.47 156.76 17.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -154.03 112.83 3.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -79.04 108.93 12.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -109.35 17.37 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 59.8 m -49.31 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 146.9 27.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 102' ' ' SER . 20.0 p-10 -52.71 -54.17 37.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 101' ' ' ASP . 10.7 t -35.59 -62.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' ARG . 28.3 m-20 -67.97 -44.46 76.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ASN . 32.5 ttt85 -35.68 -59.86 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.98 41.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -38.42 -58.42 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.525 ' CE2' HD21 ' A' ' 62' ' ' LEU . 18.0 t80 -49.13 -52.32 26.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.6 -44.92 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.8 m -57.65 -53.69 55.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 11.9 ptp -64.12 -36.5 84.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 110' ' ' MET . 4.1 t -53.07 -39.77 63.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.456 ' ND2' ' HB3' ' A' ' 117' ' ' SER . 39.8 t-20 -62.89 -33.16 74.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -82.45 -56.54 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.418 ' CD2' HD23 ' A' ' 40' ' ' LEU . 29.2 m-70 -54.44 -68.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.563 ' CE1' HG12 ' A' ' 137' ' ' ILE . 18.6 m-85 -94.18 -68.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.402 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 161.62 160.12 10.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.507 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.456 ' HB3' ' ND2' ' A' ' 112' ' ' ASN . 27.1 p -54.07 -46.87 72.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 110.878 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.4 t -42.4 -55.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.3 t -54.6 -57.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -44.17 -54.84 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.044 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -49.35 -41.3 38.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 39.4 m -52.25 -40.73 62.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 62' ' ' LEU . 78.3 mt -81.26 -42.28 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -57.7 -40.33 79.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 126' ' ' GLN . 12.4 t -70.07 -28.77 65.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.456 ' N ' HG23 ' A' ' 125' ' ' THR . 51.6 mm-40 -63.28 150.91 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -80.66 163.86 23.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 42.2 m -59.64 -54.51 45.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.4 OUTLIER -50.03 -49.93 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 129' ' ' ASP . 67.3 mm-40 -34.16 -43.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.509 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 41.6 m-85 -52.09 156.28 2.79 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.638 0.733 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.6 Cg_endo -69.75 -177.27 14.16 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.72 -1.784 . . . . 0.0 112.353 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.4 ' CD1' HG23 ' A' ' 123' ' ' ILE . 19.3 mt -133.62 108.72 8.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -96.22 110.23 22.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.5 mp -112.39 153.35 27.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 62.2 mt -124.43 122.27 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.563 HG12 ' CE1' ' A' ' 115' ' ' PHE . 3.9 mp -107.88 137.31 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.469 ' N ' HG22 ' A' ' 137' ' ' ILE . 6.1 tpt -142.56 135.51 28.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 48' ' ' PHE . . . 141.43 -161.59 26.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -104.32 153.23 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.88 -45.67 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.5 t -64.39 -59.05 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 5.2 m -108.0 107.36 18.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -142.39 152.88 43.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -167.97 159.99 11.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.58 114.95 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.3 mp -80.21 -61.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -106.94 143.31 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 98.2 t -127.7 104.86 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 65.3 mt -100.08 133.99 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -94.75 159.16 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -59.87 -22.07 56.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -81.5 17.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 7.6 t -85.74 169.74 13.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 30.4 p -99.56 141.86 31.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 157' ' ' ASP . 7.6 p -50.42 -30.39 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 156' ' ' VAL . 0.7 OUTLIER -68.9 -53.95 18.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -43.39 -46.44 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 86.8 mt -41.69 -66.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 15.3 ttm -44.69 -57.56 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 26.6 mtm -50.5 -61.54 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -43.56 -50.85 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.9 mt -48.43 -59.42 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 53.5 mtp -47.19 -56.63 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -44.94 -60.54 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -42.87 -43.34 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 30.4 mtp -58.71 -41.0 85.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -59.23 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 172' ' ' ALA . 76.0 mt -39.83 -52.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -39.43 -59.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.518 HG22 ' N ' ' A' ' 172' ' ' ALA . 1.4 t -56.05 -28.1 56.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.518 ' N ' HG22 ' A' ' 171' ' ' THR . . . -77.13 -44.38 30.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -54.73 -40.94 69.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -53.74 146.93 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -92.72 -8.91 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.99 102.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.95 -52.97 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 29.2 mm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -112.17 124.5 52.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.05 144.72 47.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -109.14 13.54 24.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -145.1 103.4 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -73.61 -54.13 8.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -37.67 -61.8 1.04 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . 7.1 m-20 -47.72 -48.29 29.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.01 -44.49 10.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.68 -43.34 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 15' ' ' ASP . 10.2 mt -46.49 -46.09 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -58.27 -60.7 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -50.95 -60.05 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -38.88 -56.8 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.27 76.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -56.89 -62.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -46.2 -54.69 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.6 t -37.5 -64.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 t -63.81 -47.13 82.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -40.29 -62.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.599 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 14.6 m-85 -92.51 -63.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.02 165.74 34.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.46 -44.11 96.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -53.16 114.92 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' ND1' ' C ' ' A' ' 32' ' ' HIS . 2.7 p80 -167.79 152.99 6.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.79 134.45 27.94 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.13 109.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -88.18 125.65 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 7.6 t80 -69.65 120.12 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.7 mm -82.11 106.69 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.17 -154.9 25.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -103.33 148.47 25.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 40.3 tp -46.54 -40.43 12.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 5.6 mm-40 -63.75 -40.1 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.68 43.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.63 -49.42 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.535 ' CD2' ' HA ' ' A' ' 41' ' ' GLU . 23.7 m-85 -41.59 -42.23 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.531 ' C ' ' H ' ' A' ' 47' ' ' ALA . 30.9 mt-30 -59.47 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.424 ' C ' HG12 ' A' ' 50' ' ' VAL . 1.1 tp10 -58.45 -1.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.531 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -93.92 -50.87 5.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 138' ' ' MET . 3.8 m-85 -117.96 -33.64 4.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 3.7 m-85 -69.02 -0.11 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.447 ' C ' ' HG2' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -64.83 -72.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.113 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 66.5 mmtt -153.37 143.43 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.02 -26.03 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -102.89 -37.25 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.473 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 5.2 t70 -80.93 12.69 3.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -57.5 108.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 33.8 mtmt -109.47 176.57 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 138' ' ' MET . 13.8 mt -111.94 163.56 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.948 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 59' ' ' ALA . 15.0 tp -107.97 154.53 21.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' N ' ' HG ' ' A' ' 58' ' ' LEU . . . -136.24 105.88 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.453 HG12 ' CG1' ' A' ' 137' ' ' ILE . 41.6 mm -69.06 136.82 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.52 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 40.3 t80 -133.55 102.35 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.535 HD23 ' CE2' ' A' ' 107' ' ' PHE . 96.5 mt -84.01 116.81 23.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -92.58 134.61 34.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 2.8 t-80 -139.39 110.09 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 10.4 t70 -62.84 -60.06 4.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.491 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 51.3 mm-40 -34.39 -45.77 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 t -52.45 140.09 23.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 m -84.92 -34.31 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 70' ' ' THR . 14.1 mt -65.62 -48.54 71.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 69' ' ' LEU . 88.7 m -32.05 -40.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.1 m-20 -50.94 -65.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' GLN . 33.8 m -72.14 -38.93 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 5.5 t80 -43.61 -56.41 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 28' ' ' TYR . 25.2 p -77.47 -43.34 32.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 t -62.44 -17.8 60.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' VAL . 36.3 mm-40 -109.45 -37.86 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 35.0 mtt -94.02 -70.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.52 HD12 ' CZ ' ' A' ' 61' ' ' TYR . 15.0 mt -50.03 -24.87 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.12 -30.1 49.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.47 125.46 23.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.81 -58.14 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -45.38 -23.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.449 HG13 ' CG2' ' A' ' 156' ' ' VAL . 28.7 mm -85.43 -65.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 88' ' ' SER . 14.0 m -53.14 -24.67 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.6 p -71.48 -56.1 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.657 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 53.2 t80 -68.7 -47.04 67.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.93 -33.58 72.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 35.7 t -84.7 -38.22 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -76.49 -61.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.657 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 2.5 m-80 -69.11 -47.43 65.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.415 ' CE1' ' HG2' ' A' ' 167' ' ' MET . 3.2 m-85 -106.59 175.41 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.8 mm -109.11 114.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.0 m -71.31 126.71 30.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 76.1 t90 -146.66 112.28 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.47 157.69 17.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -147.42 125.05 11.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -83.8 105.35 14.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -113.01 10.05 18.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.4 m -54.91 -51.15 66.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 101' ' ' ASP . 31.3 mtmt -65.74 127.81 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -36.57 -61.01 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 61.4 m -40.61 -55.49 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -61.79 -49.56 75.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -43.7 -50.86 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.17 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -50.6 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.535 ' CE2' HD23 ' A' ' 62' ' ' LEU . 66.9 t80 -51.97 -41.86 62.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.55 -18.71 62.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.8 m -89.06 -40.39 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.28 -30.46 54.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 19.9 p -59.75 -30.8 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -60.77 -39.06 87.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 114' ' ' HIS . 37.9 mtm180 -94.85 -66.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 113' ' ' ARG . 20.0 m170 -33.13 -65.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -92.83 -63.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.79 -169.95 34.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 55.5 m -85.55 -48.86 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.9 t -41.66 -65.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 11.3 m -57.2 -40.15 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 123' ' ' ILE . . . -53.6 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 120' ' ' ALA . 52.2 tt0 -34.89 -55.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.4 m -53.76 -40.49 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 120' ' ' ALA . 39.4 mm -62.79 -24.61 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -82.44 -29.5 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.7 p -92.24 15.91 12.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.417 ' CD ' HD11 ' A' ' 133' ' ' LEU . 28.1 mm-40 -86.86 129.09 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -81.83 162.3 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.1 m -59.52 -55.97 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -48.81 -48.99 41.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -41.4 -48.69 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.505 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 33.5 m-85 -52.19 157.75 2.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.67 0.748 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.9 Cg_endo -69.76 -178.03 15.84 Favored 'Cis proline' 0 C--O 1.232 0.215 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.339 -0.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.417 HD11 ' CD ' ' A' ' 126' ' ' GLN . 46.1 mt -130.86 104.92 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -95.65 118.11 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.459 ' N ' HD13 ' A' ' 135' ' ' LEU . 5.6 mp -117.79 146.21 43.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 95.2 mt -100.88 112.46 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.453 ' CG1' HG12 ' A' ' 60' ' ' ILE . 10.8 mm -92.17 135.46 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.517 ' O ' ' CE2' ' A' ' 48' ' ' PHE . 5.0 ttp -96.65 -40.85 8.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.459 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 90.98 118.81 2.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 141' ' ' ARG . 10.6 ttpp -135.71 127.13 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 140' ' ' LYS . 2.4 mmp_? -36.02 -41.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.8 t -72.62 -67.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.2 m -152.55 146.83 25.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -68.15 152.65 45.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -151.08 146.63 26.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 135' ' ' LEU . 4.3 m -89.8 127.2 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 64.1 mt -82.13 -32.2 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -150.54 152.06 33.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 86.1 t -121.54 122.15 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 151' ' ' GLN . 22.5 mt -111.05 138.99 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.454 ' N ' HG21 ' A' ' 150' ' ' ILE . 33.0 mt-30 -88.3 177.56 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.431 ' HA2' ' CD2' ' A' ' 73' ' ' PHE . . . -77.74 -21.92 70.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 153' ' ' ASN . 24.5 t-20 -82.61 16.43 2.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.4 t -80.54 160.7 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.8 p -91.4 133.35 35.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.449 ' CG2' HG13 ' A' ' 83' ' ' ILE . 7.8 p -40.77 -48.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.69 -54.25 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -41.88 -44.84 3.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 54.4 mt -52.75 -62.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 34.5 tpp -42.18 -43.17 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 8.9 mtt -69.41 -61.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -46.01 -37.86 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 32.6 mt -71.1 -68.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 165' ' ' ALA . 5.0 ptp -43.81 -34.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.471 ' N ' ' HG3' ' A' ' 164' ' ' MET . . . -58.8 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.47 -40.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.415 ' HG2' ' CE1' ' A' ' 91' ' ' PHE . 12.5 mmm -70.3 -50.08 43.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 165' ' ' ALA . 5.1 mt-10 -57.43 -43.93 84.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 5.1 mp -72.68 -49.21 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.585 ' CE2' ' NE2' ' A' ' 174' ' ' GLN . 50.9 t80 -38.61 -63.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 34.9 p -39.29 -55.53 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.84 97.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.59 -64.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.585 ' NE2' ' CE2' ' A' ' 170' ' ' PHE . 10.1 pt20 -54.81 155.2 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . 0.526 ' O ' ' CG ' ' A' ' 176' ' ' GLU . 3.5 pm0 -99.36 17.08 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 175' ' ' GLN . 3.7 pt-20 51.08 32.06 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.2 -51.58 57.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -78.18 -54.42 6.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.96 138.22 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.99 175.53 3.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' GLU . 2.4 p30 -111.49 130.62 55.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 39' ' ' SER . 44.6 mt-10 -37.39 -44.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -37.13 -66.4 0.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.37 -44.72 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.65 62.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' LEU . 96.1 mt -57.43 -56.38 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.8 mt -34.27 -44.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -64.19 -50.27 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.8 t80 -67.66 -58.57 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.449 HG21 ' CD2' ' A' ' 35' ' ' PHE . 19.3 m -48.35 -51.69 25.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.18 -54.21 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' PHE . 23.9 mt-10 -67.42 -62.52 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 t80 -37.26 -40.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -62.46 -52.84 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -72.96 -58.8 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.554 ' HD2' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -39.19 -37.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.554 ' CD2' ' HD2' ' A' ' 27' ' ' ARG . 22.4 m-85 -94.43 -64.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 164.58 153.47 7.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -46.51 -39.46 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.846 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.2 m -63.81 105.17 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 34.0 p80 -167.75 152.08 6.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.4 Cg_endo -69.79 140.69 43.19 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.67 117.72 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.49 ' CD1' HG22 ' A' ' 93' ' ' THR . 94.0 m-85 -92.76 134.17 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -78.32 120.74 23.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.95 114.5 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.09 -154.01 25.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 13' ' ' GLU . 20.0 m -101.29 160.47 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 37.0 tp -53.65 -45.41 70.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.561 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 38.1 mt-10 -53.14 -47.93 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.55 -52.23 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -40.9 -44.31 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 41' ' ' GLU . 24.9 m-85 -47.68 -40.85 21.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -31.42 72.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.496 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 6.7 tp10 -107.76 9.22 29.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -98.0 -66.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -110.3 -37.74 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -51.13 -30.44 16.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.496 ' CG1' ' HA ' ' A' ' 46' ' ' GLU . 19.7 m -55.46 174.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -58.72 171.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.48 -37.38 71.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -76.17 -31.82 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.51 9.81 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -53.3 146.22 12.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -151.54 173.28 14.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 55.1 mt -112.4 161.57 16.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 tp -106.82 129.27 54.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.22 111.38 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.422 ' CD1' HG13 ' A' ' 137' ' ' ILE . 5.2 mp -77.3 133.98 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -118.71 106.08 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 64.1 mt -83.28 122.18 28.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -102.51 126.18 49.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 13.9 t-80 -130.74 114.93 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.1 t70 -61.99 -61.33 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.488 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 76.0 mt-10 -35.26 -46.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -61.01 143.85 54.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 69' ' ' LEU . 35.1 m -88.39 -38.89 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 71' ' ' ASN . 12.6 mt -49.64 -47.09 50.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 69' ' ' LEU . 54.1 m -32.92 -33.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 69' ' ' LEU . 26.4 t-20 -72.14 -65.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.513 ' O ' ' N ' ' A' ' 76' ' ' GLN . 32.9 m -61.78 -47.83 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CD2' ' HE2' ' A' ' 77' ' ' MET . 3.2 t80 -40.46 -53.63 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 70' ' ' THR . 27.4 p -78.13 -48.99 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.484 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 4.9 m -60.81 -13.58 16.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 72' ' ' VAL . 78.2 mm-40 -110.55 -39.28 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.565 ' HE2' ' CD2' ' A' ' 73' ' ' PHE . 30.8 mtt -97.89 -58.37 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.8 mt -74.37 12.45 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.484 ' HB3' ' C ' ' A' ' 75' ' ' SER . 1.8 p -97.93 -26.81 14.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.27 131.1 38.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.454 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 pm0 -66.78 -29.44 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.45 ' N ' ' HG2' ' A' ' 81' ' ' GLU . 40.2 m -69.67 -49.22 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.6 mm -63.42 -48.3 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 81' ' ' GLU . 35.6 m -63.0 -40.25 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.7 m -69.57 -48.98 58.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.614 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 2.0 t80 -64.73 -44.58 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' PHE . 11.0 tp -63.73 -41.51 98.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 p -73.4 -38.44 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -75.05 -61.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.614 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 9.7 m-80 -65.98 -48.67 70.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.554 ' CZ ' HD23 ' A' ' 163' ' ' LEU . 1.9 m-85 -108.68 175.13 5.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.1 mm -104.27 116.39 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.49 HG22 ' CD1' ' A' ' 35' ' ' PHE . 26.6 m -77.16 109.58 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.51 ' CH2' ' HB2' ' A' ' 40' ' ' LEU . 58.5 t90 -141.21 111.67 6.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.83 167.16 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -151.76 104.71 3.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.09 104.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -110.41 17.79 20.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.3 m -47.0 -48.02 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.6 151.97 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 102' ' ' SER . 40.3 m-20 -58.67 -58.06 10.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 101' ' ' ASP . 23.4 t -36.59 -53.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -71.17 -41.92 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -46.01 -55.19 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.15 75.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' A' ' 110' ' ' MET . 12.1 ttm180 -50.49 -41.13 52.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -69.43 -44.26 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.39 -50.61 72.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.9 m -61.07 -65.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.408 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 3.8 ppp? -46.4 -37.85 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.7 m -65.12 -60.49 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.42 ' HA ' ' C ' ' A' ' 116' ' ' GLY . 3.0 t30 -42.23 -29.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -74.31 -49.93 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -77.51 -65.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -75.98 -68.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.42 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 148.96 160.98 9.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.7 t -58.61 -44.69 89.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 31.4 m -44.91 -32.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.8 t -81.12 -45.59 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.05 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 122' ' ' THR . 6.1 tm0? -48.0 -51.03 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.48 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 36.9 m -45.74 -53.49 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.45 -43.85 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -57.6 -33.07 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.7 p -81.61 15.16 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -106.62 159.38 16.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -85.74 169.81 13.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 21.6 m -68.45 -55.42 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.3 OUTLIER -48.09 -47.8 34.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.827 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 129' ' ' ASP . 24.5 mt-30 -33.82 -44.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.505 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 14.0 m-85 -54.75 157.05 5.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.76 177.97 27.04 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.35 0.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.9 mt -128.01 110.42 12.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -95.69 119.37 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.7 mp -125.48 133.06 52.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 37.2 mt -93.28 107.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.481 ' CD1' HG22 ' A' ' 146' ' ' VAL . 21.0 mm -102.73 102.03 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.425 ' O ' ' O ' ' A' ' 139' ' ' GLY . 21.3 ttp -98.1 -44.07 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 144' ' ' ASN . . . 38.54 -160.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -151.64 157.59 42.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.31 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -40.62 -37.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.1 t -73.34 -72.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 64.9 m -129.8 152.86 48.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.46 ' HA ' ' HA3' ' A' ' 139' ' ' GLY . 80.6 m-20 -102.77 159.43 15.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -163.23 171.59 16.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.481 HG22 ' CD1' ' A' ' 137' ' ' ILE . 96.9 t -106.1 133.61 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 33.4 mt -97.91 -67.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . 0.64 ' ND2' HH11 ' A' ' 162' ' ' ARG . 36.0 m-20 -118.35 149.75 40.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 85.4 t -132.26 110.34 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 41.3 mt -96.67 117.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -49.63 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 163.1 -22.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -80.86 13.95 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.7 t -67.09 176.73 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 76.4 p -123.28 149.21 45.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 60.8 t -40.31 -50.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -51.04 -42.71 60.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -61.46 -39.86 92.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.0 -48.04 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.406 ' CE ' ' HA ' ' A' ' 160' ' ' MET . 6.2 mmt -47.54 -62.04 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -44.18 92.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.64 HH11 ' ND2' ' A' ' 148' ' ' ASN . 19.5 mmt180 -50.31 -45.22 54.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.554 HD23 ' CZ ' ' A' ' 91' ' ' PHE . 35.6 mt -75.18 -45.86 37.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 8.5 mmt -51.61 -57.72 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -47.5 -54.56 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -54.12 -60.52 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -46.05 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.02 -61.03 2.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 90.8 mt -39.79 -47.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 170' ' ' PHE . 5.4 t80 -44.64 -60.58 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.1 m -41.14 -43.01 2.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.84 73.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -61.45 -57.75 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -58.75 143.58 46.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -99.73 15.27 27.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -101.38 105.14 16.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -89.75 -53.13 4.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 74.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 1.7 pm0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.861 0.363 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.462 ' N ' ' HG2' ' A' ' 8' ' ' GLU . 4.1 m120 52.88 40.7 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.1 106.85 6.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -120.49 114.28 21.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -41.74 -64.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -39.86 -44.3 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.05 -63.16 4.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -62.3 -47.1 85.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.55 -48.79 48.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' LEU . 30.2 mt -61.63 -54.21 45.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' LEU . 11.1 mt -33.56 -45.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.3 -56.06 17.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -54.23 -50.75 66.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.56 HG22 ' CD2' ' A' ' 35' ' ' PHE . 40.6 p -58.37 -45.45 88.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.53 -57.43 11.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -56.18 -42.88 77.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 t80 -58.3 -44.48 88.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 29' ' ' GLY . 12.8 t -48.27 -64.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -66.13 -49.3 67.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -39.62 -58.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -90.71 -64.34 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -175.15 147.63 9.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -51.17 -45.1 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.1 m -62.71 114.58 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -167.54 154.54 7.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.1 22.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 p -56.17 120.83 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.56 ' CD2' HG22 ' A' ' 21' ' ' THR . 64.7 m-85 -95.64 122.29 38.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.12 117.41 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.7 109.26 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.05 -146.09 12.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -117.45 143.44 46.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 20.9 tp -43.71 -41.54 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -46.41 -53.33 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.94 88.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.31 -45.3 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -53.43 -40.16 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -68.56 -54.72 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' C ' ' HB ' ' A' ' 50' ' ' VAL . 15.7 tp10 -64.87 -3.68 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.93 -61.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.457 ' C ' ' H ' ' A' ' 50' ' ' VAL . 34.7 m-85 -98.03 -49.44 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -76.57 17.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.457 ' H ' ' C ' ' A' ' 48' ' ' PHE . 12.8 p -78.76 -45.48 25.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 54' ' ' ASP . 46.6 mmtt -149.29 178.0 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.37 -34.07 12.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -115.5 -24.44 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.446 ' HB2' ' CB ' ' A' ' 51' ' ' LYS . 2.1 m-20 -89.14 17.98 5.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 29.2 mtt180 -52.09 111.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 24.5 mtmm -95.66 178.73 5.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 25.0 mt -111.92 150.59 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.7 tp -104.91 152.78 22.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.552 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -148.18 118.17 7.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.18 141.43 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 132' ' ' PRO . 46.0 t80 -131.5 105.06 7.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.9 mt -85.74 113.14 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -87.27 135.78 33.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 5.1 t-80 -140.18 123.56 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' GLU . 6.7 t0 -72.39 -61.33 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.5 mt-10 -33.7 -45.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 t -52.96 156.11 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.1 m -103.7 -27.33 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 12.7 mt -74.79 -17.66 60.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' VAL . 39.9 m -75.92 -65.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 70' ' ' THR . 0.5 OUTLIER -34.31 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' THR . 34.5 m -96.01 -44.23 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 18.1 t80 -65.6 -10.91 39.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 32.0 p -93.28 -38.16 11.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 m -98.01 -15.36 20.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.3 mm-40 -98.56 -57.58 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.57 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -79.67 -71.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.497 HD12 ' CZ ' ' A' ' 61' ' ' TYR . 11.1 mt -41.57 -24.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -82.51 17.98 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -78.76 102.17 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.92 -36.72 49.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -70.17 -40.35 74.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' SER . 55.8 mt -73.76 -67.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ILE . 17.4 m -36.93 -30.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' ILE . 28.5 t -79.59 -54.8 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 2.8 t80 -71.21 -56.18 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' PHE . 17.1 tp -43.96 -32.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.0 m -92.49 -44.6 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -65.92 -60.04 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.46 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 5.2 m-80 -76.38 -46.92 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 3.4 m-85 -104.6 170.55 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -103.66 113.42 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.2 m -80.06 127.83 32.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 72.9 t90 -150.59 114.84 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.07 159.7 16.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -149.75 123.25 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.66 104.24 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 99' ' ' THR . 1.4 pt? -111.59 14.62 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' LEU . 54.5 m -37.34 -68.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -63.54 158.42 21.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -65.16 -50.49 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.2 m -39.22 -41.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -78.89 -55.2 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -39.8 -52.06 2.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -53.39 -57.27 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' ALA . 25.8 mtt-85 -37.74 -59.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.446 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 90.9 t80 -46.43 -50.08 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.26 -43.53 87.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -62.8 -59.94 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.45 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 8.1 ptp -56.58 -37.19 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 110' ' ' MET . 34.3 m -65.84 -48.69 70.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -43.06 -35.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -91.11 -60.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -48.07 -62.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 137' ' ' ILE . 49.4 m-85 -90.92 -65.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 155.42 176.2 27.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.5 m -76.97 -30.2 55.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.798 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.61 -58.76 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 5.0 m -56.18 -40.27 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 121' ' ' GLN . . . -51.71 -60.06 3.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.457 ' NE2' HG23 ' A' ' 125' ' ' THR . 14.3 tm0? -37.7 -59.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.9 m -48.68 -45.12 38.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.0 mm -56.94 -37.48 54.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -64.29 -46.36 83.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.457 HG23 ' NE2' ' A' ' 121' ' ' GLN . 71.9 p -66.49 -41.72 88.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -52.75 104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -64.54 172.95 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 129' ' ' ASP . 49.2 m -58.63 -59.37 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.7 OUTLIER -35.55 -54.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' ASP . 30.7 mm-40 -37.23 -45.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.521 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 39.1 m-85 -54.85 155.81 7.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.554 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 53.9 Cg_endo -69.8 135.08 32.11 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.347 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.6 mt -87.81 102.7 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.552 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -95.84 119.06 33.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 mp -121.0 136.91 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 79.9 mt -98.8 119.36 46.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.448 HD13 ' CE1' ' A' ' 115' ' ' PHE . 42.1 mm -97.79 140.59 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.3 ttt -168.0 152.59 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 150.61 -160.48 28.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -89.76 150.15 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 142' ' ' SER . 0.1 OUTLIER -53.16 -26.89 18.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.436 ' N ' ' HG2' ' A' ' 141' ' ' ARG . 11.7 t -61.46 -48.16 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.9 m -157.08 122.12 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -87.28 164.48 16.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -154.91 157.07 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 48.4 t -88.08 111.85 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.27 -60.37 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -116.81 152.99 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 99.1 t -131.69 110.65 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.446 ' CG2' HG22 ' A' ' 154' ' ' THR . 27.3 mt -100.08 120.38 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.1 -61.79 2.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 151.72 -20.02 0.89 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -82.07 14.04 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' THR . . . . . 0.446 HG22 ' CG2' ' A' ' 150' ' ' ILE . 13.8 t -80.35 168.12 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.8 p -89.96 144.56 25.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.491 ' CG2' ' SD ' ' A' ' 77' ' ' MET . 65.6 t -43.02 -51.93 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -49.56 -55.17 14.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -42.93 -52.6 5.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.77 -51.21 58.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -48.55 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 30.0 mtp -63.91 -54.06 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -40.27 -58.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 85.9 mt -49.31 -56.55 9.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.3 mmm -53.69 -41.77 67.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.55 84.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.9 81.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 168' ' ' GLU . 6.0 mmm -69.66 -67.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 10.9 pt-20 -37.56 -42.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.465 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 91.6 mt -68.67 -46.36 79.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 174' ' ' GLN . 50.7 t80 -48.86 -54.93 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 77.1 p -52.29 -41.09 62.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -68.36 -43.2 77.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.29 -48.85 76.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.565 ' HG3' ' CE1' ' A' ' 170' ' ' PHE . 62.5 mm-40 -58.13 144.03 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.57 -9.05 58.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -39.4 -48.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -38.89 -53.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 2.3 pm0 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 8' ' ' GLU . 19.7 m120 -86.57 -58.19 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.97 138.14 40.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -138.85 157.75 45.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -85.12 -52.23 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' GLY . 35.0 mt-10 -80.78 -48.26 12.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.4 -59.04 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -45.2 95.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.88 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LEU . 99.1 mt -60.15 -57.82 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 17' ' ' LEU . 12.0 mt -33.84 -56.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -51.81 -50.3 61.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.68 -57.14 13.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.6 p -50.57 -42.59 55.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.178 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.93 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' PHE . 17.9 mm-40 -59.02 -61.14 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' GLU . 11.7 t80 -36.09 -58.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -39.8 -50.77 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -71.95 -43.54 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -41.16 -57.24 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 23.1 m-85 -97.85 -63.34 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.92 151.79 10.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.555 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -50.01 -43.47 50.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.02 107.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -167.11 156.01 9.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.449 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.72 129.29 17.37 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.8 t -53.55 102.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.554 ' CD1' HG23 ' A' ' 93' ' ' THR . 54.6 m-85 -78.11 130.73 36.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -70.44 129.2 38.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.63 116.5 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.83 -148.58 19.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.3 m -110.48 148.72 31.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.0 tp -43.62 -44.54 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -43.85 -51.48 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.03 -18.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -87.84 -51.71 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.507 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.23 -41.31 94.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 45' ' ' GLN . 17.2 tp10 -61.58 -7.6 3.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.424 ' C ' HG23 ' A' ' 50' ' ' VAL . . . -117.5 -37.97 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CZ ' ' HA3' ' A' ' 139' ' ' GLY . 1.7 m-85 -97.6 -64.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.507 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 4.8 m-85 -43.29 -37.51 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.469 ' CG2' ' H ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -33.76 -76.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' H ' ' CG2' ' A' ' 50' ' ' VAL . 1.5 mmmp? -157.18 133.54 9.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.424 ' O ' ' NE ' ' A' ' 55' ' ' ARG . . . -50.65 -20.52 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -98.28 -46.72 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.08 17.9 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 52' ' ' ALA . 13.1 mtm180 -53.54 141.23 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -128.02 175.86 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 28.9 mt -117.23 146.2 43.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.2 tp -104.41 146.87 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.513 ' HB3' ' CE1' ' A' ' 134' ' ' PHE . . . -136.14 105.62 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.446 ' CD1' HD11 ' A' ' 137' ' ' ILE . 5.0 mp -70.25 119.53 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.526 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 11.5 t80 -104.13 106.66 17.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD22 ' CZ ' ' A' ' 107' ' ' PHE . 44.2 mt -84.53 119.82 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -99.31 113.17 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 4.9 t-80 -124.27 116.17 22.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' GLU . 6.0 t70 -63.17 -56.84 13.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 25.8 mt-10 -34.49 -39.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.2 t -61.46 150.7 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 69' ' ' LEU . 33.4 m -92.33 -36.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' N ' HG22 ' A' ' 68' ' ' VAL . 25.2 mt -63.57 -46.58 85.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.466 ' CA ' ' HD3' ' A' ' 132' ' ' PRO . 34.1 m -46.36 -29.2 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -61.48 -65.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' GLN . 10.6 m -69.76 -46.31 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 4.6 t80 -54.31 -14.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.467 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 34.6 t -83.42 -48.51 10.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.414 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 97.5 p -97.37 -1.98 43.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' VAL . 54.9 mm-40 -105.3 -51.29 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.549 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -91.41 -68.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.526 HD13 ' CZ ' ' A' ' 61' ' ' TYR . 14.7 mt -44.0 -40.41 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.1 m -64.89 -32.16 73.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -52.06 113.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 3.9 mm-40 -63.86 -40.2 96.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m -52.63 -26.75 14.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 85' ' ' SER . 49.2 mm -90.53 -67.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 32.9 m -45.61 -20.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 83' ' ' ILE . 14.6 m -75.34 -59.35 2.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' CE1' ' CB ' ' A' ' 90' ' ' ASN . 13.8 t80 -70.9 -44.47 66.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' PHE . 17.5 tp -57.16 -35.17 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.0 t -86.8 -42.8 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -69.92 -61.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.562 ' CB ' ' CE1' ' A' ' 86' ' ' TYR . 10.0 m-80 -72.24 -48.93 39.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 2.8 m-85 -104.42 175.59 5.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.2 mm -109.81 109.23 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.554 HG23 ' CD1' ' A' ' 35' ' ' PHE . 48.3 m -71.19 131.9 44.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -148.0 126.43 12.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' HB3' ' CE1' ' A' ' 35' ' ' PHE . . . -115.17 143.35 45.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -143.3 102.79 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -66.86 109.05 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -116.08 16.62 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.0 m -47.38 -45.33 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -82.2 132.4 35.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -42.46 -44.09 3.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.5 m -40.63 -57.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -71.42 -45.15 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.96 -55.3 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.15 -53.18 56.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -46.91 -48.36 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.556 ' CZ ' HD22 ' A' ' 62' ' ' LEU . 48.1 t80 -59.5 -36.11 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.8 mt -74.35 -35.06 63.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.3 m -67.64 -50.16 59.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 23.0 ptp -65.74 -43.27 89.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 110' ' ' MET . 1.6 t -66.42 -39.05 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -55.01 -33.36 62.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -94.39 -65.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -39.43 -67.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.56 ' CE1' HG12 ' A' ' 137' ' ' ILE . 26.5 m-85 -88.02 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.31 169.34 25.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.7 m -69.27 -52.28 29.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.0 t -42.31 -58.28 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.9 t -47.76 -65.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.71 -44.35 27.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -54.15 -44.46 71.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.2 m -50.12 -43.86 51.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.6 mt -70.62 -30.38 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.9 ttt-85 -71.39 -50.75 28.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.1 t -69.55 -24.62 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.416 ' CD ' ' HG3' ' A' ' 130' ' ' GLN . 6.7 mm100 -62.84 157.59 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -87.01 145.42 26.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 91.3 m -49.95 -38.7 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 130' ' ' GLN . 0.5 OUTLIER -51.04 -49.46 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 29.9 mm-40 -36.66 -46.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.521 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 61.5 m-85 -52.48 154.77 4.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.2 Cg_endo -69.67 132.1 21.14 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.349 -0.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.8 mt -89.19 102.14 14.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 59' ' ' ALA . 3.0 t80 -94.98 116.14 28.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.435 ' N ' HD13 ' A' ' 135' ' ' LEU . 4.7 mp -115.03 162.76 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.462 HG21 ' N ' ' A' ' 137' ' ' ILE . 38.8 mt -130.2 142.53 43.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.56 HG12 ' CE1' ' A' ' 115' ' ' PHE . 4.7 mp -134.88 138.27 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.505 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 2.7 tmm? -78.63 -57.9 3.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.56 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 102.45 106.89 3.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -127.05 128.98 47.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.885 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 140' ' ' LYS . 5.8 mmm180 -32.97 -47.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.8 t -58.12 -62.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.7 t -163.03 157.57 21.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -86.08 148.75 25.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -140.37 158.56 43.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.3 t -90.57 136.76 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 147' ' ' LEU . 4.0 mm? -97.86 -66.72 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -122.16 144.48 48.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.0 108.89 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 47.0 mt -103.51 125.05 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 132' ' ' PRO . 24.9 mp0 -54.72 -63.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 152.92 -23.36 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -81.25 10.61 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.9 t -70.99 165.67 22.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 156' ' ' VAL . 76.4 p -88.04 133.9 33.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 155' ' ' THR . 10.9 p -36.17 -42.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.34 -52.43 65.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -43.41 -40.19 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.3 mt -58.96 -45.33 90.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.78 -58.71 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.4 ptm -64.5 -49.75 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -43.72 -47.74 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.46 -48.98 79.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.9 mtm -51.65 -53.85 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -44.1 -54.32 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -48.09 -42.8 29.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 11.8 mtp -60.83 -57.38 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -54.74 -48.68 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.24 -36.01 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.463 ' CZ ' ' NE2' ' A' ' 174' ' ' GLN . 1.9 t80 -63.97 -61.24 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.77 -40.84 42.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.195 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -73.58 -40.64 63.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.072 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.31 -41.03 65.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.463 ' NE2' ' CZ ' ' A' ' 170' ' ' PHE . 29.1 mt-30 -58.35 139.35 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -84.88 176.48 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 52.13 43.29 30.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -69.88 -46.74 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 3.1 pm0 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.59 168.02 20.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.88 41.49 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.084 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -92.6 16.07 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 59.17 42.11 19.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.45 -53.58 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.31 -50.49 40.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.57 -47.93 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.89 88.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.19 -35.57 79.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.08 -39.69 82.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -73.09 -46.54 50.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -61.59 -40.97 96.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.429 HG22 ' CD2' ' A' ' 35' ' ' PHE . 24.6 p -66.38 -60.36 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.34 -50.84 28.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.16 -53.76 44.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CE1' ' CD1' ' A' ' 28' ' ' TYR . 63.6 t80 -45.72 -64.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 t -53.22 -42.95 66.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -51.88 -32.65 33.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 2.8 ttm180 -95.9 -63.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 24' ' ' PHE . 29.0 m-85 -56.44 -61.49 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.31 166.94 21.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.44 -49.18 72.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.9 m -52.34 111.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -167.25 153.63 7.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.403 ' HB2' ' CG2' ' A' ' 93' ' ' THR . 53.4 Cg_endo -69.75 126.69 13.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.9 t -53.16 102.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' A' ' 21' ' ' THR . 72.3 m-85 -74.62 134.35 42.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -74.15 110.66 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.6 mm -70.27 102.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.97 -173.02 44.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.3 t -89.71 151.33 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.969 0.414 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.497 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 54.2 tp -43.61 -33.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 41' ' ' GLU . 4.8 tp10 -76.42 -44.9 33.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.06 -36.73 75.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.45 82.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.532 ' CE1' HD21 ' A' ' 58' ' ' LEU . 16.8 m-85 -47.71 -37.15 12.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' HG2' ' CG ' ' A' ' 49' ' ' TYR . 48.0 mt-30 -57.18 -60.52 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.01 -17.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.47 -57.25 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -97.0 -67.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.463 ' CG ' ' HG2' ' A' ' 45' ' ' GLN . 23.0 m-85 -37.94 -32.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 55' ' ' ARG . 4.5 p -51.94 167.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.17 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.0 mmtt -53.3 163.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HA ' ' NH1' ' A' ' 55' ' ' ARG . . . -65.16 -43.21 92.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -75.7 -39.75 56.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -79.53 12.27 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.452 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 59.6 mtm-85 -55.06 148.73 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -153.82 171.65 18.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' A' ' 91' ' ' PHE . 90.7 mt -113.38 153.0 29.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.532 HD21 ' CE1' ' A' ' 44' ' ' PHE . 31.0 tp -104.54 123.09 46.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -114.57 105.73 13.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 32.4 mm -70.12 139.17 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.502 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 1.8 t80 -134.66 115.74 14.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 HD22 ' CE2' ' A' ' 107' ' ' PHE . 74.6 mt -93.15 118.59 31.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -100.58 132.19 46.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.416 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 12.3 t-80 -136.64 108.2 6.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.2 m-20 -53.32 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' ASP . 26.2 mt-10 -34.72 -41.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -58.08 147.97 27.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.46 -25.46 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.8 mt -70.38 -23.81 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.34 -35.1 78.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.12 -48.08 71.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.556 ' O ' ' N ' ' A' ' 75' ' ' SER . 20.5 m -91.09 -53.34 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 1.7 t80 -43.05 -30.98 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.456 ' CB ' HD11 ' A' ' 78' ' ' LEU . 52.1 m -96.43 -14.42 22.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 72' ' ' VAL . 36.7 t -95.91 -18.65 20.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.542 ' CG ' ' O ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -110.0 -42.13 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.628 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 17.0 mtt -84.58 -61.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 61' ' ' TYR . 34.9 mt -65.6 -42.01 92.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.446 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.6 m -81.31 17.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 77' ' ' MET . . . -91.99 110.61 21.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.52 -28.85 65.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 p -74.57 -51.62 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.4 mm -59.73 -59.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 85' ' ' SER . 15.4 m -49.96 -42.21 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.448 ' N ' HG23 ' A' ' 84' ' ' VAL . 4.4 m -54.6 -43.14 71.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.631 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 14.1 t80 -89.22 -65.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 91' ' ' PHE . 11.1 tp -35.83 -40.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -79.19 -48.77 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.59 -61.44 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.631 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 9.0 m-80 -72.82 -61.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.514 ' CE2' HD13 ' A' ' 57' ' ' LEU . 3.4 m-85 -91.31 178.58 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mm -110.18 130.62 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.403 ' CG2' ' HB2' ' A' ' 33' ' ' PRO . 59.2 m -83.19 125.62 31.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.497 ' CZ3' HD11 ' A' ' 40' ' ' LEU . 10.0 t90 -150.34 111.77 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -113.14 158.9 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -151.17 119.06 6.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -78.41 131.33 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.6 mp -118.07 8.31 12.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.1 m -50.59 -43.31 56.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 34.2 mtmt -82.09 126.26 31.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.43 -55.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 m -42.46 -45.01 4.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' A' ' 100' ' ' LYS . 74.8 m-20 -60.94 -56.31 22.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 103' ' ' ASN . 13.0 mtp180 -34.34 -62.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.62 -50.22 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -40.17 -67.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.458 ' CE2' HD22 ' A' ' 62' ' ' LEU . 20.2 t80 -52.2 -51.79 56.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -43.06 -57.59 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 98.6 m -52.16 -47.68 65.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 18.1 mtm -56.87 -48.33 78.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.27 -45.31 92.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -49.49 -37.21 25.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -89.27 -66.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -40.98 -63.36 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.543 ' CE1' HG12 ' A' ' 137' ' ' ILE . 17.1 m-85 -92.51 -66.21 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.4 155.59 8.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.9 t -61.11 -47.63 85.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.3 t -47.45 -52.28 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.6 -60.6 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -41.22 -57.42 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -47.13 -46.2 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.8 m -45.81 -29.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 81.0 mt -87.72 -39.66 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.149 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -62.47 -42.04 99.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.6 t -68.13 -29.73 68.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -58.95 151.51 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -77.07 176.64 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 129' ' ' ASP . 84.8 m -76.44 -62.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 128' ' ' THR . 2.4 p-10 -37.32 -49.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.407 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 51.0 mm-40 -38.42 -45.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.494 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 12.0 m-85 -52.06 158.75 1.67 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.2 Cg_endo -69.79 -178.46 16.82 Favored 'Cis proline' 0 C--O 1.232 0.216 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.375 0.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.416 HD13 ' CE1' ' A' ' 131' ' ' PHE . 36.1 mt -132.7 120.26 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.444 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -112.89 112.68 24.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 135' ' ' LEU . 3.3 mp -109.17 162.84 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 43.9 mt -129.91 108.89 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.543 HG12 ' CE1' ' A' ' 115' ' ' PHE . 3.3 mp -96.02 126.25 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -144.16 125.18 14.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 172.14 -155.99 24.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -97.99 142.32 29.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 141' ' ' ARG . 2.0 tmt_? -38.74 -47.81 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.5 m -68.4 -49.37 60.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.2 m -111.89 112.5 24.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -130.4 147.94 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -163.48 157.1 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.49 122.17 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.9 mp -85.91 -56.39 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -111.43 146.24 37.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 94.8 t -131.56 113.81 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 151' ' ' GLN . 47.1 mt -102.36 138.73 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 132' ' ' PRO . 36.5 mt-30 -74.96 -56.84 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 149.93 -21.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -81.52 13.22 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 11.6 t -74.36 172.96 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 42.4 p -105.51 139.12 40.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.8 p -40.91 -34.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.49 -47.19 76.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -49.23 -43.84 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 77.3 mt -47.27 -58.86 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 42.5 tpp -43.89 -48.14 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 17.8 mtt -63.93 -44.01 94.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -56.75 -41.18 77.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.405 HD21 ' CD2' ' A' ' 91' ' ' PHE . 19.5 mt -67.83 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 59.0 mtp -46.07 -47.27 17.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.17 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.0 75.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 14.6 mtp -70.45 -58.44 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 6.9 pt-20 -50.28 -34.53 23.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.412 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 59.8 mt -74.69 -49.65 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -41.6 -63.57 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.429 ' CG2' ' H ' ' A' ' 172' ' ' ALA . 1.2 t -50.28 -62.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.429 ' H ' ' CG2' ' A' ' 171' ' ' THR . . . -41.14 -50.05 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -50.01 -55.88 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 171' ' ' THR . 10.0 pt20 -68.07 144.89 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -116.62 13.99 15.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -121.98 109.06 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -43.36 -54.94 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 24.2 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.903 0.382 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -84.42 -47.61 10.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.8 148.7 39.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -101.26 137.1 40.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -86.99 -54.66 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -46.9 -46.18 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.35 -62.12 6.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.76 -44.38 77.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.62 -45.9 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' PHE . 49.1 mt -67.85 -58.71 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 17' ' ' LEU . 5.5 mt -34.31 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -64.48 -43.98 92.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.6 t80 -63.13 -43.72 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.9 p -67.27 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.12 -45.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -77.79 -42.92 32.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 28' ' ' TYR . 83.2 t80 -37.76 -39.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' GLY . 2.3 p -72.99 -61.34 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -42.09 -34.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 17.4 ptp180 -83.89 -49.47 8.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.486 ' CD2' ' CE1' ' A' ' 24' ' ' PHE . 31.4 m-85 -95.66 -67.68 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 172.47 152.68 8.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -51.86 -45.1 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.64 111.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -167.05 152.67 7.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.535 0.683 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 131.09 20.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -53.97 107.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.464 ' CD1' HG22 ' A' ' 93' ' ' THR . 75.0 m-85 -82.88 125.83 31.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -58.94 108.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.8 mm -73.36 103.17 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.98 -167.39 35.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 t -91.66 145.24 24.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.551 HD12 ' CZ3' ' A' ' 94' ' ' TRP . 10.8 tp -45.79 -41.2 10.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -41.31 -50.84 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -68.01 -53.79 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.41 -24.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' CE2' ' HG ' ' A' ' 40' ' ' LEU . 51.9 m-85 -74.34 -55.83 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.41 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 4.6 pt20 -63.81 -42.64 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 7.3 tt0 -62.91 -6.36 3.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.512 ' O ' ' CG2' ' A' ' 50' ' ' VAL . . . -97.93 -60.99 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 56' ' ' LYS . 32.8 m-85 -96.85 -65.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' VAL . 30.4 m-85 -35.76 -38.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -32.15 -73.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' HG2' ' C ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -156.47 132.8 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.44 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . . . -49.81 -15.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -97.87 -48.09 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -84.49 16.71 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 52' ' ' ALA . 36.2 mtt180 -55.79 102.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.548 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 65.7 mttm -94.08 179.02 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 69.8 mt -111.02 151.35 28.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.537 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 19.4 tp -104.84 140.43 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -140.43 109.15 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 61' ' ' TYR . 4.5 mp -76.37 131.68 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CE1' ' CE1' ' A' ' 73' ' ' PHE . 39.3 t80 -118.88 103.41 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.2 mt -79.63 117.58 20.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -97.81 116.61 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 12.8 t-80 -117.54 103.27 9.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.9 t0 -54.21 -59.39 4.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.519 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 27.3 mm-40 -34.01 -45.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.1 t -58.43 149.4 25.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.62 -22.3 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 12.7 mt -71.41 -21.18 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.418 ' CG2' ' HD3' ' A' ' 132' ' ' PRO . 0.7 OUTLIER -62.36 -50.29 72.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -43.11 -63.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' A' ' 76' ' ' GLN . 19.2 m -70.11 -45.26 76.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 1.9 t80 -45.07 -52.03 9.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.489 ' CB ' HD13 ' A' ' 78' ' ' LEU . 28.2 p -78.0 -36.04 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.427 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 26.9 t -71.57 -15.69 62.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' VAL . 57.0 mm-40 -110.68 -37.91 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.694 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 29.6 mtt -91.72 -55.14 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.489 HD13 ' CB ' ' A' ' 74' ' ' CYS . 96.1 mt -76.94 16.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' H ' ' C ' ' A' ' 77' ' ' MET . 1.3 m -112.27 -22.34 10.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.37 129.14 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 82' ' ' SER . 14.4 pt-20 -65.72 -45.28 83.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 71.9 m -64.72 -41.21 96.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.458 HD11 ' CE ' ' A' ' 160' ' ' MET . 26.4 mm -62.44 -51.09 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -65.89 -35.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -68.77 -46.99 67.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.533 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 4.2 t80 -72.23 -52.2 17.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.46 -31.37 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.5 p -85.82 -41.98 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.504 ' O ' ' CE ' ' A' ' 56' ' ' LYS . 13.3 mm-40 -75.42 -61.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.533 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 2.0 m-80 -66.61 -43.49 84.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 3.0 m-85 -114.1 171.69 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -101.12 114.94 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.464 HG22 ' CD1' ' A' ' 35' ' ' PHE . 90.2 m -73.75 125.83 28.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.551 ' CZ3' HD12 ' A' ' 40' ' ' LEU . 32.0 t90 -151.69 103.61 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.44 150.83 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -142.76 136.7 29.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.89 125.47 41.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.3 mp -115.27 3.29 14.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.9 m -42.82 -44.28 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -91.6 143.69 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -52.1 -58.91 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.3 m -37.29 -47.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -74.71 -47.44 31.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -53.24 -64.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.49 -47.61 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.4 mtp85 -48.76 -55.48 11.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -54.09 -46.23 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.09 -34.59 77.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.7 m -71.92 -49.48 37.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.2 ptm -70.99 -30.09 66.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.4 t -76.56 -45.46 30.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -49.45 -34.06 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' HIS . 57.3 mtt180 -94.73 -68.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' ARG . 12.2 m170 -37.85 -61.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -89.64 -60.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.49 164.91 14.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 97.2 p -70.39 -45.38 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.824 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.64 -44.8 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.36 -53.69 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.93 -50.76 72.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -52.15 -45.84 65.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 88.8 m -53.03 -43.15 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 133' ' ' LEU . 94.1 mt -68.97 -36.88 76.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.65 96.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.9 p -66.43 -38.2 86.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -52.33 130.22 30.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -56.34 173.74 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 95.2 m -69.72 -60.47 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.3 OUTLIER -40.12 -47.67 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 129' ' ' ASP . 24.2 mm-40 -33.81 -48.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 64' ' ' HIS . 17.2 m-85 -52.12 158.52 1.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.575 ' HG2' ' CE2' ' A' ' 73' ' ' PHE . 53.8 Cg_endo -69.71 167.69 70.0 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.366 0.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 123' ' ' ILE . 12.8 mt -119.81 102.28 8.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -95.47 120.13 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.21 167.53 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.41 ' C ' HD13 ' A' ' 137' ' ' ILE . 68.3 mt -133.93 139.99 47.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.431 HG21 ' CG ' ' A' ' 144' ' ' ASN . 4.7 mp -140.02 134.02 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.475 ' HA ' ' CD2' ' A' ' 57' ' ' LEU . 13.9 ptt? -114.02 -35.2 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -52.3 174.67 0.19 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.9 ptpp? -85.41 -179.84 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -45.38 -52.69 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 144' ' ' ASN . 27.1 p -77.76 -51.27 10.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.6 t -75.28 11.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 140' ' ' LYS . 28.9 t-20 -54.77 122.39 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -145.13 147.92 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 74.6 t -80.39 117.07 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.7 mp -78.09 -59.91 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -126.08 154.81 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 98.5 t -127.95 115.44 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.472 ' CG2' ' HB ' ' A' ' 154' ' ' THR . 18.2 mt -100.94 117.91 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.62 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 158.77 -19.17 0.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -80.24 6.83 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' THR . . . . . 0.472 ' HB ' ' CG2' ' A' ' 150' ' ' ILE . 3.1 t -61.14 176.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 10.8 p -118.78 151.97 37.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 157' ' ' ASP . 10.6 p -48.04 -45.4 12.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 156' ' ' VAL . 24.0 m-20 -59.12 -45.76 90.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -51.11 -50.64 58.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.414 ' CD1' ' HB3' ' A' ' 77' ' ' MET . 84.5 mt -39.63 -61.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.458 ' CE ' HD11 ' A' ' 83' ' ' ILE . 32.2 tpp -47.18 -48.19 23.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.2 mtt -59.63 -49.88 76.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -56.72 -46.32 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.496 HD22 ' CE2' ' A' ' 91' ' ' PHE . 31.8 mt -64.82 -56.41 13.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 5.6 mmt -46.0 -59.49 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -48.3 -45.21 34.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.96 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 76.3 mmm -69.44 -62.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 9.0 pt-20 -50.69 -41.73 56.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.465 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 54.7 mt -66.95 -46.29 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.551 ' CE2' ' OE1' ' A' ' 174' ' ' GLN . 58.4 t80 -45.39 -66.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.424 ' CG2' ' H ' ' A' ' 172' ' ' ALA . 1.5 t -54.94 -61.03 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.424 ' H ' ' CG2' ' A' ' 171' ' ' THR . . . -44.67 -28.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -79.77 -68.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.551 ' OE1' ' CE2' ' A' ' 170' ' ' PHE . 6.1 pt20 -44.43 -37.53 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -78.11 130.99 37.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 52.21 38.26 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -68.86 -46.43 68.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.876 0.37 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -92.25 147.31 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.37 127.95 33.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -84.88 125.17 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -84.03 -48.41 9.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' OE2' ' CH2' ' A' ' 96' ' ' TRP . 0.9 OUTLIER -57.02 -48.47 78.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.75 -57.87 2.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.43 -55.07 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.87 -53.65 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 mt -59.21 -51.47 69.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' CD2' HD12 ' A' ' 37' ' ' ILE . 6.2 mt -38.13 -51.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.44 -64.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HE2' ' CE2' ' A' ' 35' ' ' PHE . 3.7 t80 -45.3 -35.46 3.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -68.03 -67.19 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.97 -41.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' PHE . 68.5 mm-40 -75.97 -61.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' GLU . 53.1 t80 -36.31 -51.96 0.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.418 ' HB2' ' NE2' ' A' ' 32' ' ' HIS . 10.7 t -70.37 -53.14 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -56.55 -18.14 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.561 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -97.96 -63.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 27' ' ' ARG . 50.1 m-85 -66.4 -67.78 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.66 -168.67 41.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -103.03 -11.47 18.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.9 m -80.37 17.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.419 ' HB2' ' HD2' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -95.36 158.5 34.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 110.9 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.485 ' HG3' ' CD2' ' A' ' 78' ' ' LEU . 53.6 Cg_endo -69.75 104.02 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.3 t -52.74 105.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 95' ' ' ALA . 25.2 m-85 -63.99 154.8 33.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -91.14 120.38 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.418 HD12 ' CD2' ' A' ' 18' ' ' LEU . 32.2 mm -68.43 112.32 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.77 -172.89 32.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 p -92.09 168.56 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.56 ' CD1' ' CZ3' ' A' ' 94' ' ' TRP . 20.4 tp -69.9 -48.88 56.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -48.99 -36.49 17.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -74.05 -55.04 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -33.6 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 99.5 m-85 -60.77 -54.73 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' ALA . 10.7 pt20 -60.59 -23.92 65.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -78.95 -9.23 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.59 -36.93 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -97.81 -57.85 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -77.99 11.39 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.434 ' CG1' ' HA ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -79.0 161.55 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -52.18 140.38 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.38 -36.34 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -78.28 -40.67 36.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.51 15.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 16.8 mtt180 -52.88 134.14 37.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -155.62 177.39 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' A' ' 91' ' ' PHE . 21.1 mt -112.06 168.52 9.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 37.5 tp -106.95 131.87 53.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.18 107.38 7.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.443 HG21 ' N ' ' A' ' 61' ' ' TYR . 41.5 mt -90.72 136.57 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.443 ' N ' HG21 ' A' ' 60' ' ' ILE . 10.7 t80 -128.58 123.1 32.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.57 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 88.9 mt -91.2 123.22 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -107.5 119.47 39.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 14.1 t-80 -127.33 117.01 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' GLU . 84.3 m-20 -62.2 -58.69 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.532 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 49.4 mt-10 -37.64 -42.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -52.74 146.53 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 69' ' ' LEU . 35.3 m -89.13 -41.35 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' N ' HG22 ' A' ' 68' ' ' VAL . 23.1 mt -61.03 -47.44 86.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.45 ' CA ' ' HD3' ' A' ' 132' ' ' PRO . 22.7 m -46.32 -41.89 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -49.78 -60.26 3.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 73' ' ' PHE . 29.8 m -71.25 -50.01 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.504 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 12.1 t80 -53.98 -15.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 3.0 m -79.8 -53.35 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.422 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 18.7 m -92.54 -8.08 45.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.813 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 51.5 mm-40 -98.37 -55.91 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -89.96 -70.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' CD2' ' HG3' ' A' ' 33' ' ' PRO . 11.3 mt -40.61 -23.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -81.64 17.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -82.15 102.01 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.72 -59.13 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -48.56 -33.51 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.447 HD13 ' CB ' ' A' ' 80' ' ' ALA . 69.0 mt -79.03 -71.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 83' ' ' ILE . 32.8 m -36.58 -32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 83' ' ' ILE . 37.9 m -70.57 -50.54 36.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.502 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 10.2 t80 -72.02 -48.51 44.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 91' ' ' PHE . 8.2 tp -57.69 -34.62 69.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.405 ' HG ' ' N ' ' A' ' 89' ' ' GLN . 81.3 p -83.23 -41.97 17.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.405 ' N ' ' HG ' ' A' ' 88' ' ' SER . 63.1 mm-40 -74.06 -61.63 1.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.502 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 15.2 m-80 -68.18 -54.58 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -98.92 174.53 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.3 mm -100.05 127.9 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 37.2 m -86.33 124.09 32.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.56 ' CZ3' ' CD1' ' A' ' 40' ' ' LEU . 12.5 t90 -152.58 113.3 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.561 ' HB3' ' CE1' ' A' ' 35' ' ' PHE . . . -112.04 171.0 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.062 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.473 ' CH2' ' OE2' ' A' ' 13' ' ' GLU . 71.7 t-105 -157.69 123.36 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -86.11 123.42 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.01 10.3 18.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.2 m -50.19 -46.13 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -83.65 126.27 32.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -39.49 -42.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -53.41 -55.67 23.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -63.12 -45.5 91.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -39.1 -49.03 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -67.07 -49.02 66.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 105' ' ' ALA . 47.9 mmt-85 -34.6 -59.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.57 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 33.2 t80 -51.47 -45.4 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' ALA . 72.2 mt -62.41 -47.05 85.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.5 m -57.75 -56.2 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.437 ' O ' ' CD2' ' A' ' 114' ' ' HIS . 22.4 ptp -60.89 -40.03 91.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.8 m -66.52 -38.89 88.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 112' ' ' ASN . 0.5 OUTLIER -48.25 -37.22 15.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 113' ' ' ARG . 1.7 mmp_? -95.49 -53.22 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 110' ' ' MET . 52.8 m-70 -40.39 -68.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CE1' HG12 ' A' ' 137' ' ' ILE . 16.9 m-85 -95.96 -45.57 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 142.06 165.48 10.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.1 m -62.42 -49.34 75.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.8 m -48.63 -36.37 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.6 t -73.59 -55.99 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.08 -47.51 22.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -57.74 -43.75 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 33.0 m -43.93 -43.56 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 86.6 mt -77.05 -42.1 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -48.43 -39.6 23.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 73.4 p -68.01 -38.77 82.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.435 ' OE1' ' NE2' ' A' ' 130' ' ' GLN . 31.2 mm-40 -54.48 124.0 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -63.75 175.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -63.18 -54.24 40.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' GLN . 6.6 m-20 -43.88 -47.29 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.435 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 17.8 mm-40 -36.12 -47.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.517 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 64.4 m-85 -53.68 155.64 5.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.8 Cg_endo -69.67 -176.18 12.08 Favored 'Cis proline' 0 C--O 1.233 0.229 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.368 -0.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.2 mt -144.32 106.81 4.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.438 ' CE2' ' HB2' ' A' ' 61' ' ' TYR . 3.4 t80 -101.71 115.53 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.9 mp -115.15 158.56 22.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.405 HD11 ' ND2' ' A' ' 148' ' ' ASN . 83.6 mt -131.4 113.52 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.542 HG12 ' CE1' ' A' ' 115' ' ' PHE . 5.1 mp -105.78 104.34 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 139' ' ' GLY . 27.8 ttp -97.95 -58.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 138' ' ' MET . . . 34.07 -140.08 0.12 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.434 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -123.08 177.9 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -44.97 -50.43 10.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 46.7 t -93.48 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.8 t -58.31 156.77 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -160.36 151.9 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -167.77 163.68 14.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.2 t -80.23 115.43 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.9 mp -89.24 -59.66 2.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . 0.405 ' ND2' HD11 ' A' ' 136' ' ' ILE . 1.6 p-10 -109.73 146.78 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.07 102.44 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 50.6 mt -98.35 138.4 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 132' ' ' PRO . 11.8 mm-40 -92.53 -37.97 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 134.27 -29.6 3.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 0.9 OUTLIER -67.75 -2.88 7.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.1 t -65.13 165.41 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 156' ' ' VAL . 30.9 p -93.73 141.84 28.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 155' ' ' THR . 88.7 t -36.86 -45.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 158' ' ' GLU . 3.5 t0 -61.75 -59.05 5.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 157' ' ' ASP . 7.3 mt-10 -38.04 -47.89 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 25.9 mt -45.65 -58.15 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 16.9 ttm -51.17 -54.59 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 162' ' ' ARG . 7.5 mtt -43.09 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 161' ' ' MET . 10.9 mmp_? -36.41 -56.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.404 HD23 ' CD2' ' A' ' 91' ' ' PHE . 19.1 mt -56.87 -55.76 30.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 35.2 mtp -48.29 -38.96 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.5 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.42 -46.02 67.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -54.89 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 7.7 pt-20 -51.2 -33.24 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.404 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 84.6 mt -79.02 -37.76 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -55.61 -59.45 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.43 ' CG2' ' H ' ' A' ' 172' ' ' ALA . 2.9 t -50.42 -58.08 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.43 ' H ' ' CG2' ' A' ' 171' ' ' THR . . . -52.8 -45.66 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -57.54 -49.96 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -65.03 176.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -71.08 161.36 31.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -151.46 120.46 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -53.28 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 72.6 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.888 0.375 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -139.01 153.27 48.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.48 170.41 15.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -98.92 158.57 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.7 m-20 -84.33 14.24 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' OE1' ' CH2' ' A' ' 96' ' ' TRP . 0.7 OUTLIER -45.39 -42.84 10.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.49 -64.39 3.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -43.1 -45.94 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.02 11.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.4 mt -49.3 -53.17 23.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mt -39.4 -48.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.7 -54.78 41.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -53.33 -48.28 68.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.1 m -53.89 -50.94 65.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 24' ' ' PHE . 8.1 pt-20 -52.54 -37.35 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 28.5 t80 -57.37 -39.04 75.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.7 t -45.09 -44.93 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.3 t -91.41 -40.34 11.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.543 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -39.08 -59.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.543 ' CE2' ' HD2' ' A' ' 27' ' ' ARG . 62.1 m-85 -116.67 -37.92 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.5 173.21 20.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 m-20 -69.28 -37.32 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.311 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.7 m -52.04 103.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.453 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 2.5 p80 -168.24 152.01 5.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 136.37 32.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -52.04 102.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -75.72 129.21 36.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 5.8 t80 -71.85 127.79 33.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.6 mm -89.65 105.93 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.02 -171.64 33.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 40' ' ' LEU . 78.0 p -92.94 142.18 27.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.953 0.406 . . . . 0.0 110.857 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.561 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 13.5 tp -34.4 -41.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 17.2 mt-10 -36.73 -51.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . -62.53 -56.1 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.091 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.64 -37.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -61.99 -60.76 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.58 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 5.3 pt20 -53.74 -46.65 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 17.2 tt0 -68.92 1.67 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -118.03 -32.2 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -117.97 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.58 ' CD1' ' HA ' ' A' ' 45' ' ' GLN . 3.0 m-85 -79.81 18.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.446 HG12 ' C ' ' A' ' 46' ' ' GLU . 34.4 m -93.52 171.87 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -53.61 140.44 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.34 -35.05 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -83.69 -33.46 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.408 ' C ' HG22 ' A' ' 50' ' ' VAL . 9.3 t0 -82.05 17.95 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -57.55 122.7 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -137.56 168.91 18.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 56.9 mt -114.35 162.42 16.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.8 tp -104.41 140.11 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.61 105.13 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.25 134.57 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.506 ' CZ ' HD12 ' A' ' 78' ' ' LEU . 7.4 t80 -127.08 108.1 10.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 98' ' ' LEU . 24.0 mt -80.36 118.94 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -100.75 110.39 22.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.553 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 13.4 t-80 -117.03 115.01 24.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' GLU . 1.3 m-20 -58.68 -60.19 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' ASP . 15.2 mt-10 -33.85 -44.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.2 t -52.25 159.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 m -106.0 -31.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.91 -24.43 65.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.8 m -68.82 -38.41 79.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 32.8 m120 -50.53 -45.8 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLN . 30.4 m -90.28 -39.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 17.0 t80 -64.25 -12.46 41.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 71' ' ' ASN . 15.6 p -94.3 -37.16 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.423 ' C ' ' HB2' ' A' ' 79' ' ' CYS . 47.2 p -97.9 -11.51 23.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' VAL . 18.5 mm-40 -102.6 -55.61 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -81.58 -67.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD12 ' CZ ' ' A' ' 61' ' ' TYR . 14.1 mt -49.8 -56.78 9.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.423 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.2 m -55.35 -28.25 52.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 77' ' ' MET . . . -52.03 109.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -60.86 -50.39 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -47.81 -41.49 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.66 -70.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 34.8 m -40.3 -38.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 t -56.25 -44.51 79.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.433 ' CE1' ' CB ' ' A' ' 90' ' ' ASN . 8.7 t80 -83.19 -44.58 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' PHE . 12.4 tp -59.44 -33.63 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 p -83.01 -43.53 16.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -70.74 -59.86 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.433 ' CB ' ' CE1' ' A' ' 86' ' ' TYR . 2.9 m-80 -69.84 -51.44 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 56.0 m-85 -105.44 178.18 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 37.0 mm -105.84 128.67 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.3 m -79.89 122.1 26.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.561 ' CZ3' HD11 ' A' ' 40' ' ' LEU . 14.1 t90 -151.75 102.03 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.64 154.1 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.555 ' CH2' ' OE1' ' A' ' 13' ' ' GLU . 77.2 t-105 -141.19 134.52 29.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -91.54 125.43 36.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 62' ' ' LEU . 5.0 mp -117.93 13.61 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.8 m -56.51 -40.66 75.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 100' ' ' LYS . 1.8 mppt? -77.66 145.0 36.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -57.16 -48.08 79.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -62.44 -47.7 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.403 ' ND2' ' HE2' ' A' ' 100' ' ' LYS . 10.1 m-20 -55.73 -59.77 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.3 ttt-85 -38.19 -60.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.07 94.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -40.93 -53.69 2.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -68.62 -48.62 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.2 mt -38.84 -58.73 1.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.7 m -51.45 -54.31 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 13.7 mtm -49.25 -51.53 32.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.2 t -45.05 -44.1 9.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.402 ' HA ' ' C ' ' A' ' 116' ' ' GLY . 60.1 t-20 -72.76 -58.75 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.4 ttt-85 -45.74 -38.49 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -86.28 -66.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.554 ' CE1' HD11 ' A' ' 137' ' ' ILE . 32.5 m-85 -79.42 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.402 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 150.72 170.61 18.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 118' ' ' VAL . 1.3 t -59.42 -56.7 18.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.966 0.413 . . . . 0.0 110.858 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 117' ' ' SER . 5.8 p -36.78 -37.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.8 t -77.91 -53.09 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.16 -49.47 66.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -48.31 -45.73 35.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.2 m -48.1 -50.31 28.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 82.8 mt -67.72 -47.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -50.72 -43.51 57.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.1 p -69.13 -36.09 77.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -56.67 126.33 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -66.62 174.45 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 90.2 m -65.09 -52.92 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 130' ' ' GLN . 1.1 m-20 -48.14 -47.12 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' ASP . 76.9 mm-40 -36.62 -43.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' A' ' 64' ' ' HIS . 15.4 m-85 -53.37 156.99 3.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.673 0.749 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.3 Cg_endo -69.77 178.55 25.07 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.3 0.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.1 mt -131.71 105.33 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -101.27 115.47 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 mp -115.06 151.11 34.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.5 mt -114.17 112.25 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.554 HD11 ' CE1' ' A' ' 115' ' ' PHE . 50.9 mm -93.32 119.48 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.42 ' HE1' ' CD2' ' A' ' 147' ' ' LEU . 4.2 ttp -144.66 117.32 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -167.25 -141.79 3.27 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 141' ' ' ARG . 15.7 tptm -119.63 156.74 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 140' ' ' LYS . 32.9 ttm180 -43.1 -49.12 6.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.6 m -42.3 -62.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.6 m -154.91 156.72 36.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -128.59 160.49 32.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -148.17 148.35 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.437 HG11 ' CG2' ' A' ' 149' ' ' VAL . 83.4 t -64.95 114.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.42 ' CD2' ' HE1' ' A' ' 138' ' ' MET . 9.8 mp -86.34 -61.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.32 135.13 55.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.437 ' CG2' HG11 ' A' ' 146' ' ' VAL . 85.5 t -114.97 118.86 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 57.7 mt -115.38 132.32 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -99.8 178.43 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -81.69 29.25 3.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -116.0 15.43 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.8 t -106.69 171.08 7.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 33.6 p -90.16 132.47 35.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 14.8 p -38.15 -37.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -52.62 57.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.25 -35.84 3.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.3 mt -58.34 -39.55 79.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.53 -57.42 13.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 7.1 ptp -61.1 -36.62 80.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 161' ' ' MET . 57.5 mmt-85 -63.81 -46.75 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 67.2 mt -59.58 -55.07 39.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 45.4 mtt -48.98 -44.52 41.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -48.59 -61.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -46.91 -33.81 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 21.9 mtp -73.73 -67.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 11.2 pt-20 -42.3 -37.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.421 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 69.7 mt -62.78 -41.29 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -67.87 -41.17 83.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 11.2 p -72.97 -36.65 67.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -75.51 -53.04 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.498 ' HG3' ' N ' ' A' ' 174' ' ' GLN . 9.9 pt20 -40.52 -33.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.498 ' N ' ' HG3' ' A' ' 173' ' ' GLN . 28.2 mt-30 -58.25 -55.59 32.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -82.14 17.6 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -103.9 105.6 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -89.37 -56.51 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.44 139.1 33.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.59 175.85 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 51.93 41.35 29.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -74.64 105.09 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.58 ' OE2' ' CH2' ' A' ' 96' ' ' TRP . 6.0 mm-40 -40.04 -42.56 1.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -38.47 -65.72 0.7 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' GLY . 18.1 t70 -35.38 -54.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.75 73.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' GLY . 91.7 mt -64.22 -52.22 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -42.72 -49.88 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -53.55 -45.84 70.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -67.55 -62.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p -39.52 -46.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 -60.07 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.61 -46.32 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 2.8 t80 -63.15 -50.62 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.5 t -47.83 -41.06 22.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 t -80.49 -60.23 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -45.52 -57.52 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.448 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 33.4 m-85 -81.46 -61.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 157.01 -178.44 33.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.23 -42.84 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.3 m -53.01 103.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -168.01 153.82 6.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 142.46 47.76 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.272 . . . . 0.0 112.353 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.32 117.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -96.87 116.47 29.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 42' ' ' ALA . 4.3 t80 -58.16 106.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.9 mm -79.02 110.64 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.4 -135.38 4.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.0 p -107.24 157.91 17.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.563 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 62.8 tp -59.98 -41.17 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -54.86 -40.67 69.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 36' ' ' PHE . . . -52.03 -50.32 61.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.48 -55.81 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 95.9 m-85 -51.27 -43.22 61.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.438 ' C ' ' H ' ' A' ' 47' ' ' ALA . 32.0 mt-30 -61.89 -49.09 77.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 19.1 tt0 -70.12 5.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -117.96 -34.1 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' C ' ' H ' ' A' ' 50' ' ' VAL . 18.2 m-85 -118.0 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 19.7 m-85 -78.64 17.94 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 46' ' ' GLU . 35.9 m -105.25 168.28 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -52.33 146.91 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.455 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . . . -54.58 -43.96 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -68.44 -43.46 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.67 17.89 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 41.2 mtp85 -61.06 146.38 47.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' HG3' ' C ' ' A' ' 55' ' ' ARG . 77.9 mttt -151.69 177.97 9.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.8 mt -111.97 165.31 12.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 24.8 tp -104.54 137.99 41.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -136.21 106.23 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.123 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.4 mt -78.61 128.88 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.492 ' CZ ' HD13 ' A' ' 78' ' ' LEU . 53.2 t80 -108.8 115.2 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.7 mt -93.36 102.34 14.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.406 ' CE1' ' OH ' ' A' ' 28' ' ' TYR . 77.8 t60 -88.81 134.26 33.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 9.4 t-80 -142.69 102.05 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' GLU . 9.1 t70 -58.23 -51.26 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.495 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 10.2 mt-10 -37.32 -41.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.2 t -67.48 147.52 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.442 HG21 ' N ' ' A' ' 69' ' ' LEU . 29.1 m -86.66 -32.45 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' N ' HG21 ' A' ' 68' ' ' VAL . 16.8 mt -61.28 -29.44 69.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.1 m -67.59 -36.47 80.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -52.57 -50.15 63.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' GLN . 16.8 m -86.67 -38.14 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 73' ' ' PHE . 18.4 t80 -61.2 -11.72 10.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 33.8 m -93.14 -38.04 11.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.427 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 15.2 m -101.43 -4.08 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' VAL . 72.8 mm-40 -109.62 -43.06 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.585 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -96.77 -48.31 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.492 HD13 ' CZ ' ' A' ' 61' ' ' TYR . 17.3 mt -76.49 18.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 77' ' ' MET . 1.3 m -112.09 -27.56 8.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.03 102.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 85' ' ' SER . 12.5 pt-20 -50.25 -36.93 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.8 p -67.38 -43.45 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.7 mt -74.58 -60.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 29.8 m -50.31 -35.18 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 12.7 t -81.7 -63.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 86' ' ' TYR . 3.7 t80 -46.62 -41.84 15.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' PHE . 4.0 tp -68.08 -42.9 79.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.4 m -65.74 -35.63 81.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -80.96 -60.61 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -64.87 -39.88 94.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' LEU . 5.7 m-85 -118.7 173.48 6.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.7 mm -108.77 106.26 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.9 m -77.45 121.55 23.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.563 ' CZ3' HD11 ' A' ' 40' ' ' LEU . 50.4 t90 -150.66 131.77 14.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.25 161.7 19.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CH2' ' OE2' ' A' ' 13' ' ' GLU . 25.4 t-105 -112.88 -7.27 13.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 99' ' ' THR . 35.6 t70 52.32 47.93 23.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 103' ' ' ASN . 1.7 pt? -77.01 13.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 97' ' ' ASP . 97.3 m -43.43 -38.73 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -80.43 152.13 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 102' ' ' SER . 4.6 p30 -57.71 -53.97 52.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' ASP . 51.1 m -37.51 -59.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.46 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 76.0 m-20 -57.63 -49.39 76.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 103' ' ' ASN . 6.9 tmm_? -34.89 -46.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.97 -49.22 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 53.3 mtt-85 -51.85 -53.46 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -52.12 -38.87 58.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.28 -46.67 72.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -64.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 11.6 ptp -46.82 -35.32 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 110' ' ' MET . 6.2 m -68.31 -45.44 72.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -45.79 -36.15 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -84.19 -52.36 6.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -60.41 -65.14 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.478 ' CE1' HD13 ' A' ' 137' ' ' ILE . 33.7 m-85 -90.61 -68.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.54 -176.19 36.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' ALA . 30.6 t -78.11 -47.47 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.376 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.3 t -42.69 -51.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.473 HG11 ' N ' ' A' ' 120' ' ' ALA . 11.2 p -60.85 -29.63 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.473 ' N ' HG11 ' A' ' 119' ' ' VAL . . . -72.68 -52.61 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -59.76 -45.03 93.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.1 m -51.41 -44.14 62.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.59 -51.39 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -44.41 -39.35 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 78.5 p -70.44 -36.11 73.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -55.54 127.61 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 3.4 mptp? -58.06 175.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 52.9 m -75.51 -59.57 2.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.8 -42.15 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 130' ' ' GLN . 1.0 OUTLIER -37.84 -42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 133' ' ' LEU . 25.3 m-85 -52.04 156.63 2.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.5 Cg_endo -69.74 156.26 92.81 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.352 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 131' ' ' PHE . 21.0 mt -106.78 102.0 11.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -94.99 118.99 32.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.38 148.92 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 26.2 mt -112.08 109.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.478 HD13 ' CE1' ' A' ' 115' ' ' PHE . 40.0 mm -94.48 138.58 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 7.0 ttt -147.14 132.07 18.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 148.84 -137.11 6.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 144' ' ' ASN . 18.6 tptt -118.59 163.12 17.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 142' ' ' SER . 17.6 ptt180 -36.81 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 16.8 m -116.08 -33.14 5.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 t -77.32 9.33 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 81.2 m-20 -60.74 136.99 58.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -146.2 173.02 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.408 HG21 ' CD1' ' A' ' 137' ' ' ILE . 49.0 t -104.06 123.82 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.9 mt -95.88 -61.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -116.38 141.69 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.11 111.65 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.463 ' CG2' HG21 ' A' ' 154' ' ' THR . 27.6 mt -100.0 121.34 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 130' ' ' GLN . 65.4 mt-30 -60.67 -56.16 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 145.6 -25.03 1.82 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -80.44 15.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' THR . . . . . 0.463 HG21 ' CG2' ' A' ' 150' ' ' ILE . 14.0 t -77.7 166.44 22.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 47.6 p -86.08 135.24 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.7 p -41.44 -42.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.28 -48.21 82.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -49.92 -43.57 49.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.53 -50.52 65.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 2.7 tpt -51.61 -44.56 62.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.7 mmt -68.89 -53.62 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -41.95 -51.7 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 70.5 mt -59.69 -61.33 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 56.4 mmm -42.67 -44.88 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.56 56.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -45.63 -42.19 11.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 2.7 mtp -61.39 -44.16 97.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -54.58 -53.71 50.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.06 -41.1 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -63.45 -61.86 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 25.4 p -42.98 -50.74 5.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -68.15 -45.33 73.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 174' ' ' GLN . 3.0 tp-100 -48.72 -46.31 40.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 173' ' ' GLN . 36.1 mt-30 -35.22 -50.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -95.54 172.76 7.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -117.41 104.71 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -76.55 -60.37 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' GLY . 21.5 mt-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.922 0.392 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -35.13 -70.56 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -49.41 -52.12 30.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.9 -44.63 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.94 -44.8 75.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt -46.91 -61.4 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -42.82 -43.16 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -67.86 -55.93 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.5 p -51.9 -37.91 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.195 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.08 71.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -66.41 -55.54 15.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 9.2 t80 -47.98 -37.27 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -53.55 -57.32 11.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.796 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -72.9 -50.86 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -39.77 -61.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.59 -61.82 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.81 174.86 35.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -63.99 -45.38 89.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.4 m -58.01 110.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -167.08 152.84 7.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.45 ' HG3' HD22 ' A' ' 78' ' ' LEU . 53.8 Cg_endo -69.81 130.28 19.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.7 t -52.3 111.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -87.1 122.7 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -63.98 123.38 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.5 mm -95.18 114.59 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.62 -153.28 24.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -98.93 136.86 38.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.672 HD13 ' CH2' ' A' ' 94' ' ' TRP . 26.6 tp -43.43 -39.0 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -48.06 -45.04 31.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.61 90.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.99 -20.66 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -91.19 -56.05 3.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -56.75 -41.92 78.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 5.5 tp10 -69.41 -7.28 36.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.37 -51.52 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 138' ' ' MET . 9.8 m-85 -97.98 -52.03 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 23.4 m-85 -72.93 7.28 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 51' ' ' LYS . 1.5 p -75.55 172.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.584 ' H ' HG22 ' A' ' 50' ' ' VAL . 5.3 mtmp? -52.55 129.2 28.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.13 -22.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' LYS . 20.3 tpt180 -90.85 -40.67 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.475 ' O ' HG11 ' A' ' 50' ' ' VAL . 2.7 m-20 -85.42 17.73 3.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 11.9 mtp180 -54.75 132.26 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 90' ' ' ASN . 8.5 mtmp? -151.51 177.48 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 137' ' ' ILE . 46.6 mt -112.09 158.6 19.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 59' ' ' ALA . 6.1 tp -104.63 151.14 24.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.706 ' HB1' ' CZ ' ' A' ' 134' ' ' PHE . . . -141.91 105.12 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.2 mt -77.63 122.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.574 ' CE2' HD11 ' A' ' 78' ' ' LEU . 49.8 t80 -108.28 102.07 11.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.691 HD22 HD22 ' A' ' 98' ' ' LEU . 74.1 mt -78.73 123.9 27.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -106.22 113.07 26.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -121.63 115.7 23.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' GLU . 10.7 t70 -59.25 -54.74 43.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' ASP . 56.8 mt-10 -37.55 -40.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.0 t -61.05 139.54 58.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.1 m -83.58 -25.3 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' ASN . 13.2 mt -76.38 -48.17 20.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 92.1 m -36.47 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 69' ' ' LEU . 74.2 m-20 -72.54 -61.23 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.61 HG23 ' N ' ' A' ' 73' ' ' PHE . 19.8 m -67.87 -50.99 54.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.61 ' N ' HG23 ' A' ' 72' ' ' VAL . 9.6 t80 -43.94 -32.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 9.2 m -65.87 -53.61 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.435 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 83.4 p -88.76 -1.06 57.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' VAL . 41.6 mm-40 -97.97 -56.29 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 79' ' ' CYS . 8.2 mmt -98.03 -47.26 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 61' ' ' TYR . 39.5 mt -76.77 17.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.435 ' HB3' ' C ' ' A' ' 75' ' ' SER . 22.2 p -102.33 -27.75 12.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -63.98 148.74 48.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -85.35 -38.84 18.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.5 m -66.52 -38.86 88.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.7 mm -69.04 -49.07 65.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 85' ' ' SER . 35.8 m -66.68 -45.19 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.494 ' N ' HG23 ' A' ' 84' ' ' VAL . 19.5 m -63.24 -45.95 89.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 9.8 t80 -69.62 -50.3 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.4 -34.14 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 p -82.64 -45.29 14.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.24 -61.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.501 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 9.4 m120 -66.76 -54.57 21.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -101.05 175.26 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.6 mm -103.0 106.83 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.403 HG21 ' HB2' ' A' ' 33' ' ' PRO . 92.1 m -75.1 121.58 22.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.672 ' CH2' HD13 ' A' ' 40' ' ' LEU . 34.0 t90 -143.43 127.21 17.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.72 149.85 36.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 77.4 t-105 -143.79 112.95 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.92 106.5 7.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.691 HD22 HD22 ' A' ' 62' ' ' LEU . 1.9 pt? -112.18 17.34 19.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.5 m -44.83 -68.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -63.63 146.3 54.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 102' ' ' SER . 5.6 p-10 -50.42 -51.57 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 101' ' ' ASP . 1.4 t -37.11 -53.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.418 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 34.9 m120 -71.18 -42.75 68.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -45.51 -60.18 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -56.83 -54.09 50.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 105' ' ' ALA . 58.1 mtt-85 -37.3 -62.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.416 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 63.5 t80 -48.79 -54.54 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.447 ' CD2' ' HB1' ' A' ' 120' ' ' ALA . 12.1 mt -48.71 -46.0 40.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.2 m -60.78 -45.87 92.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 25.8 mtm -61.24 -55.84 27.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.416 ' SG ' ' CZ ' ' A' ' 107' ' ' PHE . 1.8 m -58.31 -40.0 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -42.66 -42.55 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -94.44 -61.92 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -41.13 -54.01 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.428 ' HB3' HG21 ' A' ' 119' ' ' VAL . 2.1 m-85 -95.32 -60.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.52 179.01 31.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 85.8 p -80.45 -39.56 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 17.7 m -63.39 -21.98 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 115' ' ' PHE . 95.5 t -80.94 -58.46 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 108' ' ' LEU . . . -51.32 -54.92 21.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -43.1 -50.2 6.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.5 m -47.05 -52.5 14.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.8 mm -48.76 -40.54 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -59.33 -44.06 92.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.5 p -69.97 -41.73 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -52.31 114.86 1.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 176.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 21.2 m -82.82 -42.66 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.22 -46.41 72.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -39.36 -40.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.522 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 50.0 m-85 -52.11 156.62 2.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.6 Cg_endo -69.79 152.52 92.46 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.315 -0.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.82 103.02 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.706 ' CZ ' ' HB1' ' A' ' 59' ' ' ALA . 8.1 t80 -91.57 114.73 27.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.41 154.0 26.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 67.7 mt -126.28 128.61 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 137' ' ' ILE . 3.6 mp -112.26 143.81 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.906 ' HB2' HD11 ' A' ' 147' ' ' LEU . 20.6 ttt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -129.68 145.09 51.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.9 152.12 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.906 HD11 ' HB2' ' A' ' 138' ' ' MET . 46.9 mt -108.05 -37.47 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -137.97 143.17 40.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 97.0 t -131.84 103.8 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 25.7 mt -91.17 135.64 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.163 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -61.06 -66.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 159.32 -27.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.04 16.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.529 HG21 HD21 ' A' ' 159' ' ' LEU . 6.5 t -70.34 173.26 7.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 158' ' ' GLU . 61.4 p -101.48 129.8 47.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 155' ' ' THR . 1.0 OUTLIER -35.88 -35.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.83 -46.45 87.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 155' ' ' THR . 13.7 mt-10 -54.88 -38.75 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 154' ' ' THR . 37.7 mt -58.06 -42.29 85.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -55.52 -57.9 9.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 161' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 20.0 ptt? -63.18 -42.7 99.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 161' ' ' MET . 14.5 mmt85 -56.81 -41.96 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.76 -59.4 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 26.2 mtt -50.36 -45.27 55.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -57.16 -51.19 70.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -46.57 -32.41 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 7.5 mtp -71.08 -61.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 16.9 pt-20 -54.99 -36.56 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.442 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 74.7 mt -67.04 -49.39 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.41 -57.79 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.899 0.381 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.71 -48.87 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.631 ' HA ' HD12 ' A' ' 18' ' ' LEU . 6.6 t70 -58.82 -50.95 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.818 0.342 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.62 -62.63 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 18' ' ' LEU . 79.3 mt -54.53 -52.8 60.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 15' ' ' ASP . 15.1 mt -32.98 -45.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -66.01 -51.48 57.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 15.8 t80 -56.67 -47.93 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.8 m -59.67 -51.58 69.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.13 -59.96 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.13 -43.99 82.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -50.32 -34.64 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' GLY . 43.2 m -54.21 -60.27 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.0 t -71.4 -33.3 69.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -41.46 -62.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CZ ' ' SG ' ' A' ' 74' ' ' CYS . 69.3 m-85 -112.18 -37.87 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 160.89 162.34 12.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 5.5 p-10 -57.76 -40.74 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -52.12 108.16 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 1.6 p80 -167.98 152.04 6.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.5 Cg_endo -69.78 124.64 11.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.1 p -52.11 108.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CD2' HG22 ' A' ' 93' ' ' THR . 92.5 m-85 -81.61 145.45 30.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.2 t80 -85.06 114.86 22.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.5 mm -69.58 107.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.85 -153.36 24.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 t -119.51 153.81 34.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD11 HD21 ' A' ' 58' ' ' LEU . 13.4 tp -41.96 -40.58 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -51.53 67.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB1' ' OE1' ' A' ' 45' ' ' GLN . . . -60.06 -57.48 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.1 -46.32 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -49.92 -41.2 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.458 ' OE1' ' HB1' ' A' ' 42' ' ' ALA . 2.8 pt20 -59.99 -24.68 64.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HA ' HG13 ' A' ' 50' ' ' VAL . 5.8 tp10 -108.74 9.42 26.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.99 -66.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 13.9 m-85 -113.57 -37.92 4.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 4.4 m-30 -44.09 -39.12 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.446 HG13 ' HA ' ' A' ' 46' ' ' GLU . 26.8 m -63.03 166.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.462 ' CD ' ' HG2' ' A' ' 53' ' ' ARG . 2.9 ptpt -52.0 179.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . . . -80.26 -34.14 37.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.462 ' HG2' ' CD ' ' A' ' 51' ' ' LYS . 1.5 ptt180 -59.17 -25.43 63.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 32.8 p30 -117.77 16.38 14.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 12.7 mtp180 -61.14 138.18 58.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.418 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 75.9 mttt -148.32 176.95 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 138' ' ' MET . 6.3 mt -112.58 167.42 10.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.585 HD21 HD11 ' A' ' 40' ' ' LEU . 67.9 tp -105.08 144.38 31.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.11 112.86 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.478 ' CD1' HG13 ' A' ' 137' ' ' ILE . 5.3 mp -89.52 122.37 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -112.45 108.97 18.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.811 HD12 ' HB2' ' A' ' 133' ' ' LEU . 53.0 mt -82.47 129.1 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -116.71 128.33 55.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.406 ' ND1' ' HB2' ' A' ' 66' ' ' GLU . 11.2 t-80 -139.51 113.61 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.9 t70 -56.14 -56.18 24.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' ASP . 45.7 mm-40 -36.43 -45.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 t -55.06 145.56 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.7 m -87.14 -26.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.14 -30.36 63.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 89.7 m -61.24 -31.61 71.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 34.4 m120 -67.43 -52.14 43.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -74.52 -54.76 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 13.9 t80 -45.56 -19.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 72' ' ' VAL . 1.6 m -69.46 -67.0 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.418 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 78.3 p -88.27 -2.68 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 mm100 -97.96 -50.87 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.92 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 15.3 mt -46.97 -26.29 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.418 ' HB3' ' C ' ' A' ' 75' ' ' SER . 13.9 p -58.8 -37.63 76.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.06 115.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HA ' HG22 ' A' ' 84' ' ' VAL . 20.2 mt-10 -70.67 -44.19 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 44.4 p -50.69 -22.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' SER . 70.8 mt -94.79 -69.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 81' ' ' GLU . 19.9 m -38.3 -28.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' ILE . 22.7 t -85.27 -63.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 3.6 t80 -48.66 -45.16 38.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.11 -40.12 95.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.6 p -68.17 -38.75 82.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -78.77 -62.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.47 ' ND2' ' SD ' ' A' ' 167' ' ' MET . 4.9 m120 -63.06 -43.89 97.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.737 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.0 m-85 -114.74 177.34 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.8 mm -102.13 120.76 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.514 HG22 ' CD2' ' A' ' 35' ' ' PHE . 94.5 m -74.62 120.13 19.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.573 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 5.7 t90 -153.42 120.9 5.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -123.34 166.5 15.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.556 ' O ' HD12 ' A' ' 98' ' ' LEU . 72.7 t-105 -151.59 122.79 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.591 ' OD1' ' CE2' ' A' ' 20' ' ' PHE . 1.8 m-20 -78.51 111.56 14.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 96' ' ' TRP . 5.2 mp -94.97 10.75 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -49.21 -45.86 45.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -82.22 138.8 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -52.09 -51.2 59.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.2 m -54.44 -54.21 43.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -54.35 -57.75 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -43.57 -59.63 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -56.34 -51.74 67.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 105' ' ' ALA . 60.4 ttt180 -36.43 -56.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -56.42 -53.48 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.3 mt -51.74 -43.11 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.6 m -63.81 -67.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.0 ptm -47.08 -46.35 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.438 ' HG ' ' HD1' ' A' ' 115' ' ' PHE . 4.0 t -46.81 -57.19 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 112' ' ' ASN . 25.2 t-20 -45.6 -49.79 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -51.91 -44.0 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -82.82 -68.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.537 ' HB3' HG21 ' A' ' 119' ' ' VAL . 88.1 m-85 -78.26 -68.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.57 166.92 12.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.554 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.5 t -58.53 -41.38 85.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 25.7 m -47.22 -24.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 115' ' ' PHE . 84.7 t -91.07 -63.17 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.26 -46.6 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 125' ' ' THR . 37.4 tt0 -53.68 -54.24 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 95.2 m -42.58 -32.83 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.461 HD13 HD11 ' A' ' 62' ' ' LEU . 88.9 mt -85.89 -50.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -51.29 -38.23 51.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 121' ' ' GLN . 4.8 t -72.48 -34.6 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -63.62 147.54 51.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -77.76 169.91 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 38.4 m -66.46 -36.85 83.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.69 -47.06 64.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -40.03 -46.36 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.542 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 70.4 m-85 -53.65 153.58 7.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.83 142.79 71.84 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.331 0.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.811 ' HB2' HD12 ' A' ' 62' ' ' LEU . 13.1 mt -96.44 104.71 16.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.58 114.55 27.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.3 mp -115.47 152.27 33.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 93.0 mt -113.07 110.97 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.48 HD12 ' CE2' ' A' ' 115' ' ' PHE . 28.8 mm -105.21 120.83 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.855 ' HA ' HD22 ' A' ' 57' ' ' LEU . 5.7 ptm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -152.11 162.63 40.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 67.4 t -93.75 130.02 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.07 -62.76 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.75 139.31 53.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 96.6 t -117.64 126.96 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 45.4 mt -118.08 106.68 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -42.69 -61.43 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 143.84 -19.8 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -79.58 11.79 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.0 t -77.53 177.65 7.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 158' ' ' GLU . 81.3 p -95.85 131.07 42.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.51 ' HA ' HD12 ' A' ' 159' ' ' LEU . 12.2 p -34.95 -35.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 155' ' ' THR . 7.4 m-20 -64.04 -50.08 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 155' ' ' THR . 6.1 mt-10 -48.68 -37.51 18.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 156' ' ' VAL . 11.1 mt -69.27 -47.32 64.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -53.24 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 162' ' ' ARG . 2.8 mmt -66.3 -55.25 16.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' MET . 1.3 mmp_? -38.14 -49.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.2 mt -47.91 -54.51 12.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.6 mmt -53.11 -58.96 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -42.56 -50.56 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -48.4 -40.81 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.605 ' O ' HG22 ' A' ' 171' ' ' THR . 5.1 mtp -69.57 -60.83 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -45.9 -42.65 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 30.8 mt -75.66 -49.34 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.621 ' CG ' HD21 ' A' ' 57' ' ' LEU . 28.1 t80 -42.67 -62.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 167' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' OE1' ' A' ' 13' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.932 0.396 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 15' ' ' ASP . . . -37.45 -62.96 0.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.461 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 14' ' ' GLY . 7.0 t70 -36.99 -56.4 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.42 -50.75 9.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.19 -52.09 66.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.1 mt -46.99 -41.08 15.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -66.43 -48.12 71.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -60.31 -53.94 51.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -39.3 -58.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.8 -55.35 31.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -48.85 -44.41 39.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.2 t80 -58.38 -37.05 74.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 m -73.21 -40.16 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.6 p -69.4 -40.59 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -78.36 -63.18 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 38.7 m-85 -78.36 -68.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.93 151.73 7.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -48.14 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.313 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.6 m -54.62 102.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -167.56 157.6 9.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.75 124.56 11.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.4 p -63.92 120.07 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 75.9 m-85 -82.25 145.26 30.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CD2' ' OE1' ' A' ' 46' ' ' GLU . 43.6 t80 -68.59 103.81 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.98 104.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' OE2' ' A' ' 13' ' ' GLU . . . 159.02 -164.3 33.69 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -89.53 144.56 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 8.9 tp -49.99 -24.5 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -56.46 -51.9 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -55.77 -51.01 68.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -35.64 -40.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -61.23 -44.13 97.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.548 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 5.3 pt20 -77.12 -45.94 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.621 ' OE1' ' CD2' ' A' ' 36' ' ' PHE . 27.8 tt0 -57.55 -9.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.97 -35.99 3.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 24.9 m-85 -97.72 -41.68 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.548 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 2.9 m-85 -77.69 16.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 46' ' ' GLU . 32.7 m -86.26 171.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.96 154.43 22.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.11 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -78.2 -39.2 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.57 15.31 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 43.9 mtm-85 -54.19 135.7 43.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 9.6 mtmp? -144.05 178.21 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.867 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 38.3 mt -112.02 175.33 5.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.4 tp -109.81 133.9 52.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.538 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -121.29 110.56 16.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.5 mt -93.07 115.6 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -108.62 112.03 24.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 133' ' ' LEU . 33.9 mt -91.38 106.34 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -84.28 118.83 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 5.3 t-80 -126.96 120.63 29.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.6 t0 -68.81 -56.51 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 29.4 mt-10 -33.44 -45.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.9 t -58.31 139.25 55.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.2 m -90.43 -26.77 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 70' ' ' THR . 12.5 mt -65.68 -47.77 74.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 69' ' ' LEU . 86.1 m -32.11 -43.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.576 ' OD1' HG13 ' A' ' 72' ' ' VAL . 1.3 p-10 -48.84 -54.15 16.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG13 ' OD1' ' A' ' 71' ' ' ASN . 23.6 m -84.45 -44.97 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -40.34 -35.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.495 ' CB ' HD12 ' A' ' 78' ' ' LEU . 27.6 p -90.97 -37.88 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.425 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 12.1 m -74.4 -12.1 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' VAL . 30.2 mm-40 -109.83 -38.73 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.603 ' HB3' HD11 ' A' ' 159' ' ' LEU . 19.4 mtt -99.85 -49.43 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' A' ' 74' ' ' CYS . 87.5 mt -82.64 17.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.425 ' HB3' ' C ' ' A' ' 75' ' ' SER . 2.6 p -105.35 -23.92 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.95 128.81 34.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.434 ' HA ' HG22 ' A' ' 84' ' ' VAL . 27.5 mt-10 -64.91 -40.2 94.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.8 t -62.81 -34.23 76.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.458 HD13 ' CE ' ' A' ' 160' ' ' MET . 29.6 mm -76.15 -58.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.477 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 24.9 m -54.6 -35.1 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 89' ' ' GLN . 3.9 t -77.21 -58.45 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -50.53 -46.78 57.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.569 HD11 ' HZ ' ' A' ' 134' ' ' PHE . 8.1 tp -68.03 -34.51 76.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.4 p -86.5 -11.61 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -96.55 -58.11 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.95 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 8.7 m120 -80.09 -36.73 35.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.867 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.8 m-85 -110.53 167.99 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.8 mm -95.76 122.63 47.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 33' ' ' PRO . 26.0 m -86.4 113.26 22.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 82.1 t90 -140.82 127.45 20.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -124.07 155.33 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.501 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 76.4 t-105 -142.33 109.58 5.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -71.62 107.99 4.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.583 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -116.36 17.53 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.0 m -51.73 -43.47 62.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -68.66 149.78 48.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 101' ' ' ASP . 30.9 t0 -58.71 -58.04 10.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.4 t -41.89 -52.59 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.29 -39.93 78.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 ttt-85 -47.79 -53.12 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.68 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 109' ' ' THR . 69.7 mtt-85 -43.36 -65.6 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.554 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 39.8 t80 -43.26 -45.91 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.427 ' O ' ' SG ' ' A' ' 111' ' ' CYS . 17.3 mt -72.2 -23.51 61.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' ARG . 32.0 m -82.26 -29.04 31.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.9 ptm -85.19 -38.07 19.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 108' ' ' LEU . 28.3 p -53.3 -26.86 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -74.44 -29.75 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -87.89 -41.72 13.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -71.5 -62.0 1.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -92.63 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . 148.18 -157.93 27.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -82.6 -55.17 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.6 t -38.89 -61.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.63 -46.5 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -46.04 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -44.59 -47.21 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.3 m -38.87 -51.73 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.7 mt -70.18 -56.43 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -40.29 -44.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 67.7 p -68.41 -40.6 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -53.86 119.55 5.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -59.21 177.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.1 m -72.74 -56.04 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.12 -41.97 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -45.17 -43.53 10.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.512 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 21.6 m-85 -52.12 158.6 1.76 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.74 165.95 75.24 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.357 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.625 ' HB2' HD12 ' A' ' 62' ' ' LEU . 16.5 mt -115.38 111.15 20.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.569 ' HZ ' HD11 ' A' ' 87' ' ' LEU . 2.2 t80 -97.44 119.05 35.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 135' ' ' LEU . 2.8 mp -123.6 143.45 50.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.478 HD12 ' HB2' ' A' ' 148' ' ' ASN . 57.4 mt -113.52 104.53 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 31.7 mm -96.96 107.33 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.538 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 14.6 ttp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -160.7 168.06 25.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.456 HG11 ' CG2' ' A' ' 149' ' ' VAL . 97.9 t -106.28 125.24 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -93.96 -62.86 1.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ASN . . . . . 0.478 ' HB2' HD12 ' A' ' 136' ' ' ILE . 91.8 m-20 -121.54 140.93 51.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.456 ' CG2' HG11 ' A' ' 146' ' ' VAL . 67.4 t -128.97 108.18 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.4 mt -99.78 140.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.44 -67.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 170.46 -27.79 0.11 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -80.05 12.98 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.9 t -65.43 178.15 1.01 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 158' ' ' GLU . 74.1 p -129.23 146.76 51.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 77' ' ' MET . 69.8 t -37.34 -48.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.44 -41.4 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 155' ' ' THR . 21.6 mm-40 -60.86 -48.04 83.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' ' 77' ' ' MET . 55.2 mt -49.38 -57.79 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.458 ' CE ' HD13 ' A' ' 83' ' ' ILE . 5.4 mmt -48.18 -53.45 16.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.6 mtp -57.09 -58.79 6.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.445 ' HD3' ' ND2' ' A' ' 148' ' ' ASN . 12.7 mmp_? -47.45 -48.08 26.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.04 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 33.4 mtp -46.11 -51.86 13.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.92 -48.87 72.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -52.26 -35.81 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 41.7 mmm -73.37 -48.36 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -61.14 -38.25 85.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 74.1 mt -65.44 -38.62 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.451 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 26.1 t80 -53.15 -68.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 170' ' ' PHE . 1.3 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.935 0.398 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.24 -59.37 6.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.426 ' HA ' HD12 ' A' ' 18' ' ' LEU . 1.7 m-20 -50.71 -41.9 56.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.55 -48.48 71.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' LEU . 92.7 mt -63.75 -53.01 57.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LEU . 10.5 mt -34.03 -55.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -59.13 -57.86 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 2.4 t80 -46.71 -53.94 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -44.58 -52.51 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.43 -53.28 56.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' PHE . 9.7 mm-40 -58.19 -61.19 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.6 t80 -33.75 -57.76 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 38.8 p -58.77 -66.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . 12.6 t -37.66 -52.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -39.78 -63.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -91.65 -67.74 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.42 -155.32 11.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -39.19 15.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 t -52.87 107.43 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -167.9 152.99 6.65 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.546 0.688 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.736 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.9 Cg_endo -69.75 127.46 14.63 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.9 p -56.63 106.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 71.1 m-85 -78.39 138.15 38.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 11.3 t80 -75.26 119.12 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mm -81.85 114.97 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.26 179.46 26.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -73.06 137.87 45.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.65 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 13.1 tp -51.69 -39.17 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.54 -30.04 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -76.98 -54.87 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.82 -35.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.531 ' CE1' HD23 ' A' ' 58' ' ' LEU . 68.2 m-85 -58.62 -48.27 81.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' ALA . 5.6 pt20 -58.71 -43.62 90.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 29.6 tp10 -62.63 -15.59 52.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.19 -49.63 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.02 -68.13 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.441 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 24.3 m-85 -43.74 -28.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.636 HG22 ' H ' ' A' ' 51' ' ' LYS . 6.3 p -53.79 171.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.636 ' H ' HG22 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -59.51 137.59 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.24 -31.16 13.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -49.29 -47.32 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.93 -70.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 54.46 34.23 20.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -52.4 176.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.633 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 14.4 mt -112.81 171.39 7.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.531 HD23 ' CE1' ' A' ' 44' ' ' PHE . 40.7 tp -109.61 147.58 32.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -144.91 113.15 6.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.45 HG21 ' HE2' ' A' ' 107' ' ' PHE . 4.1 mp -89.08 129.26 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CE1' HD11 ' A' ' 78' ' ' LEU . 33.5 t80 -115.22 104.16 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 107' ' ' PHE . 95.6 mt -82.48 124.33 29.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -106.26 130.59 54.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -133.02 125.21 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLU . 29.8 t0 -70.31 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' ASP . 52.6 mt-10 -34.39 -42.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 t -61.78 135.36 57.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.8 m -86.09 -23.47 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.446 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 31.3 mt -70.65 -32.05 69.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.0 m -60.41 -46.34 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -46.29 -64.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 73' ' ' PHE . 26.8 m -69.46 -51.82 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.627 ' N ' HG23 ' A' ' 72' ' ' VAL . 3.3 t80 -37.83 -35.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 2.2 m -61.17 -68.99 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 54.0 p -76.96 0.07 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' VAL . 66.8 mm-40 -93.68 -56.26 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.586 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 15.1 mtt -104.72 -38.89 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 61' ' ' TYR . 13.6 mt -81.18 17.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.409 ' HB3' ' C ' ' A' ' 75' ' ' SER . 15.8 p -101.66 -33.38 9.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -55.42 143.6 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HA ' HG22 ' A' ' 84' ' ' VAL . 1.8 tt0 -86.77 -32.19 20.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.8 m -66.86 -33.53 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.8 mt -81.75 -60.5 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 80' ' ' ALA . 33.4 m -49.4 -31.32 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 m -84.24 -67.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 5.0 t80 -45.71 -37.5 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.88 -46.53 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.6 p -75.09 -43.29 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -58.72 -53.02 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -84.53 -56.05 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.633 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 10.4 m-85 -97.27 177.21 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mm -105.06 107.61 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.736 HG21 ' HB2' ' A' ' 33' ' ' PRO . 38.8 m -69.76 124.21 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.65 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 64.7 t90 -148.32 123.02 9.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -109.81 156.34 20.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 70.9 t-105 -148.32 127.45 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.34 109.6 20.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -112.34 12.77 20.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.3 m -49.06 -49.9 39.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.435 ' HE2' ' N ' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -63.73 139.31 58.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -48.35 -50.16 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -54.53 -55.4 29.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -53.18 -45.06 68.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -46.22 -49.73 16.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 108' ' ' LEU . . . -61.94 -48.25 81.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 110' ' ' MET . 69.0 mtt180 -40.29 -57.74 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.786 ' CD2' HD21 ' A' ' 62' ' ' LEU . 60.3 t80 -52.92 -31.81 42.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.697 HD22 ' HB1' ' A' ' 120' ' ' ALA . 12.6 mt -79.9 -65.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 110' ' ' MET . 0.8 OUTLIER -48.76 -41.93 33.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -69.17 -38.12 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 107' ' ' PHE . 1.7 m -64.53 -43.06 95.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -50.54 -32.45 18.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -94.56 -57.31 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -51.97 -59.94 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -97.56 -68.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.9 -169.31 35.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.7 m -82.73 -42.67 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 22.2 m -48.72 -22.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -89.45 -57.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.697 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . -52.92 -53.54 47.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -42.92 -55.05 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.8 m -46.74 -44.28 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.4 mm -57.85 -48.91 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -44.78 -43.51 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.0 p -71.87 -37.34 70.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -56.67 122.29 11.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -73.5 177.87 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.8 m -70.62 -64.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -39.92 -45.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -41.37 -42.19 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.531 ' CZ ' HD12 ' A' ' 133' ' ' LEU . 16.3 m-85 -52.07 158.9 1.62 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.4 Cg_endo -69.79 -178.09 16.0 Favored 'Cis proline' 0 C--O 1.232 0.211 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.337 0.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 151' ' ' GLN . 38.4 mt -133.6 103.78 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.49 ' C ' HD22 ' A' ' 135' ' ' LEU . 3.4 t80 -90.17 111.28 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.868 HD13 ' HA ' ' A' ' 149' ' ' VAL . 1.1 mm? -102.74 163.54 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 162' ' ' ARG . 87.0 mt -138.0 106.98 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.4 mp -103.86 137.21 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.401 ' HA ' HD22 ' A' ' 57' ' ' LEU . 2.4 ttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.784 0.326 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.55 147.81 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 146' ' ' VAL . 2.6 m -80.64 119.62 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.1 mp -77.43 -21.18 53.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -158.0 146.93 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.868 ' HA ' HD13 ' A' ' 135' ' ' LEU . 64.0 t -122.81 101.98 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.613 HD11 ' HG3' ' A' ' 162' ' ' ARG . 10.6 mt -92.33 150.72 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.576 ' HA ' HD23 ' A' ' 133' ' ' LEU . 2.4 mp0 -115.81 178.38 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -68.01 -21.01 73.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -78.93 2.43 20.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.499 ' O ' ' CE ' ' A' ' 77' ' ' MET . 2.6 t -69.25 147.59 51.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.1 p -84.86 133.07 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 157' ' ' ASP . 11.9 p -40.34 -42.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.479 ' N ' HG13 ' A' ' 156' ' ' VAL . 1.1 m-20 -59.6 -44.5 93.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.12 -49.04 72.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 79.6 mt -45.38 -55.92 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 41.4 tpp -56.19 -43.39 78.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 162' ' ' ARG . 73.3 mmm -59.61 -59.61 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.613 ' HG3' HD11 ' A' ' 150' ' ' ILE . 7.9 mmt180 -37.01 -63.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.402 HD22 ' CG ' ' A' ' 91' ' ' PHE . 88.6 mt -43.12 -58.52 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.2 mtm -48.08 -42.8 29.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.89 -61.77 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -44.01 -41.42 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 3.5 mmt -60.97 -53.33 58.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.43 -52.13 66.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.2 mt -57.03 -39.21 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.37 -55.18 34.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.58 -47.57 17.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -57.82 -55.19 38.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.63 -41.64 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' LEU . 92.5 mt -71.21 -56.52 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.8 mt -34.38 -43.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -67.73 -66.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -45.49 -52.4 10.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.4 p -46.58 -49.45 18.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.69 -67.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' PHE . 9.0 mm-40 -52.46 -61.12 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' GLU . 24.7 t80 -33.69 -42.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' SER . 4.2 m -79.3 -64.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' SER . 29.7 t -37.14 -41.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -54.19 -58.67 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 30.4 m-85 -84.66 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.58 -160.97 22.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -89.82 -44.61 9.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -53.22 114.64 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -167.45 156.15 8.94 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.4 Cg_endo -69.82 128.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -58.67 114.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -88.45 127.24 35.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.41 107.63 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.0 mm -66.97 104.73 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.32 -163.38 33.89 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' ALA . 77.3 p -101.58 153.35 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 tp -41.18 -40.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.57 -40.07 78.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' SER . . . -58.71 -55.05 40.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.79 -45.13 3.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -57.65 -35.79 70.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.432 ' OE1' ' CE2' ' A' ' 49' ' ' TYR . 5.9 mm100 -66.52 -21.54 66.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.543 ' HA ' HG13 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -116.01 7.07 14.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.21 -59.93 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -116.08 -36.11 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.432 ' CE2' ' OE1' ' A' ' 45' ' ' GLN . 3.0 m-85 -51.04 -27.02 7.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.543 HG13 ' HA ' ' A' ' 46' ' ' GLU . 19.7 m -62.16 177.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 161.17 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.66 -33.17 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -82.07 -34.09 29.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.93 0.54 52.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -53.15 146.98 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -150.01 177.99 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.98 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 85.5 mt -111.58 162.15 15.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.6 tp -116.01 147.52 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -147.21 109.25 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -83.17 125.59 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CE1' HD11 ' A' ' 78' ' ' LEU . 14.6 t80 -108.63 105.53 15.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.638 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 81.3 mt -77.3 116.89 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -89.38 135.08 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -143.24 124.06 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.95 -56.73 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HB2' HG21 ' A' ' 128' ' ' THR . 22.2 mt-10 -37.86 -41.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 t -58.94 154.43 15.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -97.42 -34.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.84 -33.11 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.6 m -55.13 -40.4 70.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 13.9 t-20 -49.7 -63.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.6 HG23 ' H ' ' A' ' 73' ' ' PHE . 15.8 m -70.88 -55.69 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.6 ' H ' HG23 ' A' ' 72' ' ' VAL . 8.5 t80 -46.26 -20.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.445 ' SG ' ' CZ ' ' A' ' 24' ' ' PHE . 10.8 t -73.87 -54.65 7.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 95.6 p -97.11 0.83 49.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' VAL . 95.8 mm-40 -106.09 -47.12 3.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.9 -56.53 2.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.699 HD11 ' CE1' ' A' ' 61' ' ' TYR . 7.5 mt -59.8 -28.88 67.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.448 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.3 m -90.18 -8.54 50.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.702 ' HB3' HD12 ' A' ' 83' ' ' ILE . . . -52.1 102.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.587 ' HA ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -47.16 -57.09 5.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -48.31 -19.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.702 HD12 ' HB3' ' A' ' 80' ' ' ALA . 80.2 mt -98.06 -69.42 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 81' ' ' GLU . 23.6 m -36.87 -30.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' ILE . 2.8 m -70.72 -52.87 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.659 ' CE2' ' CG ' ' A' ' 90' ' ' ASN . 44.6 t80 -79.26 -55.41 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 91' ' ' PHE . 6.7 tp -41.77 -34.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -90.04 -43.04 10.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.75 -61.2 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.659 ' CG ' ' CE2' ' A' ' 86' ' ' TYR . 5.8 m-80 -77.07 -50.63 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.98 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -99.13 176.01 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.9 mm -113.25 117.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' ' 33' ' ' PRO . 27.4 m -79.82 134.48 36.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 96' ' ' TRP . 58.4 t90 -155.81 108.75 2.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.13 146.14 25.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 74.8 t-105 -140.29 128.64 22.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.66 107.72 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.489 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -115.12 7.63 15.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.4 m -63.52 -40.15 96.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -65.25 125.39 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 100' ' ' LYS . 6.8 p-10 -33.78 -50.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.6 p -56.43 -65.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 104' ' ' ARG . 3.0 m120 -50.18 -53.8 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 103' ' ' ASN . 7.6 tmm_? -33.99 -59.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.98 82.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -43.52 -67.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.638 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 71.0 t80 -41.5 -61.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 mt -42.47 -53.91 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.3 m -56.74 -46.19 81.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.3 mtm -58.94 -52.81 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.48 ' SG ' ' CZ ' ' A' ' 107' ' ' PHE . 6.9 m -59.42 -43.79 92.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -42.54 -39.41 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' HIS . 9.4 ttt85 -93.77 -66.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' ARG . 15.2 m-70 -34.57 -56.12 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.576 ' CE1' HG12 ' A' ' 137' ' ' ILE . 20.5 m-85 -96.81 -59.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.08 166.74 13.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 t -59.82 -44.7 93.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.3 t -48.22 -46.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 83.0 t -67.84 -65.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -39.36 -56.44 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -40.46 -49.13 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 95.0 m -50.93 -41.63 59.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.3 mm -67.08 -24.73 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -73.54 -55.5 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.8 t -66.4 -23.84 66.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.71 117.47 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -68.57 174.45 4.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 66' ' ' GLU . 72.8 m -69.89 -59.64 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.6 OUTLIER -36.4 -42.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -50.35 -46.4 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 44.3 m-85 -52.05 156.08 2.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.76 164.91 78.02 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.34 0.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.6 mt -122.33 105.09 9.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -92.21 114.55 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.69 136.91 52.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.401 HG21 ' CB ' ' A' ' 166' ' ' ALA . 64.2 mt -106.39 113.88 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.576 HG12 ' CE1' ' A' ' 115' ' ' PHE . 4.8 mp -106.63 147.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.461 ' HG3' ' CD2' ' A' ' 57' ' ' LEU . 13.0 ttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -163.1 164.34 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.6 t -79.58 114.03 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.08 -54.7 5.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -127.6 154.62 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 67.2 t -131.86 106.5 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.495 HD11 ' CB ' ' A' ' 162' ' ' ARG . 42.6 mt -106.98 144.48 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -105.42 149.99 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -53.15 -15.27 3.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.71 8.77 13.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.418 HG21 HG21 ' A' ' 150' ' ' ILE . 7.2 t -79.22 170.79 16.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 65.0 p -102.15 148.21 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.579 HG22 ' SD ' ' A' ' 77' ' ' MET . 86.5 t -46.41 -51.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -58.34 -50.88 72.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -49.8 -51.04 42.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.588 HD11 ' CE2' ' A' ' 73' ' ' PHE . 15.1 mt -45.83 -64.66 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 83' ' ' ILE . 18.0 tpp -48.5 -45.66 37.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.2 mmt -57.34 -50.51 72.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.495 ' CB ' HD11 ' A' ' 150' ' ' ILE . 10.4 mmt180 -50.96 -54.28 25.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.632 HD22 ' CD2' ' A' ' 91' ' ' PHE . 57.5 mt -43.53 -49.44 7.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.7 mtt -60.58 -37.7 82.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.64 67.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.401 ' CB ' HG21 ' A' ' 136' ' ' ILE . . . -89.42 -38.97 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.603 ' HA ' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -76.27 -32.19 58.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.85 -34.72 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -73.89 -40.18 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -48.63 -56.75 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 43.0 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' GLY . 2.5 mp0 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.95 0.405 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -37.86 -68.82 0.37 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.65 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -54.98 -50.27 69.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.24 -48.93 12.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' LEU . 58.3 mt -61.23 -55.44 31.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 15' ' ' ASP . 11.8 mt -33.96 -53.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -54.72 -50.77 67.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.96 -52.59 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.3 m -53.62 -42.96 68.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.62 -62.95 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.42 -48.06 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 3.1 t80 -53.34 -54.43 36.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -40.32 -65.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.9 m -60.85 -47.03 88.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -39.92 -63.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -94.67 -62.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.57 166.51 35.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -45.31 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.15 108.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -168.01 154.35 7.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.588 0.708 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 119.7 6.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.2 p -52.05 111.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.781 ' CD2' HG22 ' A' ' 93' ' ' THR . 65.6 m-85 -85.26 140.0 31.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 7.2 t80 -77.21 112.23 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.513 HD12 ' HG ' ' A' ' 18' ' ' LEU . 26.9 mm -71.48 113.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.35 -139.76 6.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.8 p -122.49 151.38 41.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.981 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 18.4 tp -43.55 -40.87 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -57.57 -62.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.3 -52.14 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.02 -52.07 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 63.7 m-85 -46.65 -48.89 19.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.562 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 54.8 mt-30 -55.56 -63.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' HG11 ' A' ' 50' ' ' VAL . 10.9 tp10 -60.38 -0.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -98.87 -47.68 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.407 ' C ' ' H ' ' A' ' 50' ' ' VAL . 17.6 m-85 -118.0 -30.33 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 45' ' ' GLN . 3.0 m-85 -76.89 17.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.988 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 46' ' ' GLU . 35.6 m -98.94 176.0 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -54.61 135.19 46.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.36 -25.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.2 mmt-85 -89.53 -39.55 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' O ' HG21 ' A' ' 50' ' ' VAL . 28.7 m-20 -83.91 16.87 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 26.7 mtp180 -56.78 129.83 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -135.41 175.0 9.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.764 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 52.7 mt -112.33 167.96 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.2 tp -107.77 136.73 47.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.98 122.68 21.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.1 mt -98.65 135.31 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -121.71 128.88 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.403 HD22 HD22 ' A' ' 98' ' ' LEU . 73.2 mt -106.5 130.98 54.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -106.46 128.75 54.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.6 t-80 -138.85 117.76 12.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' GLU . 13.5 t70 -64.58 -53.65 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.0 mm-40 -35.94 -44.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 t -57.13 159.64 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.3 m -105.23 -36.53 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.42 -33.84 76.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.0 m -52.11 -50.97 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -39.03 -65.16 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.612 HG23 ' N ' ' A' ' 73' ' ' PHE . 18.2 m -70.47 -55.3 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.612 ' N ' HG23 ' A' ' 72' ' ' VAL . 7.7 t80 -43.04 -21.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.0 t -73.1 -53.52 10.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.457 ' C ' ' HB2' ' A' ' 79' ' ' CYS . 24.8 p -96.86 0.33 49.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 93.7 mm-40 -105.88 -47.69 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.578 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -97.8 -55.73 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 10.2 mt -62.11 -17.38 57.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.457 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.3 m -103.16 18.0 22.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.429 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -86.78 103.01 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -43.53 -51.78 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.7 p -55.2 -37.94 67.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 29.7 mm -78.4 -70.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 20.2 m -42.43 -40.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 84' ' ' VAL . 41.0 t -58.95 -56.8 17.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.582 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 28.8 t80 -70.1 -58.38 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.484 HD13 ' HZ ' ' A' ' 134' ' ' PHE . 16.9 tp -41.73 -36.34 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 82.8 p -86.73 -50.76 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -61.45 -61.29 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.582 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 2.4 m-80 -73.07 -58.13 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.764 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -93.89 176.74 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.4 mm -105.02 132.07 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.781 HG22 ' CD2' ' A' ' 35' ' ' PHE . 66.6 m -89.23 114.66 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.981 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 11.1 t90 -139.09 116.4 11.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.88 159.6 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -157.93 115.53 3.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -79.16 104.62 9.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.404 ' HA ' ' CB ' ' A' ' 103' ' ' ASN . 1.5 pt? -112.13 11.81 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 m -44.54 -68.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -63.0 137.11 58.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -42.49 -50.29 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' ASP . 56.3 m -37.15 -50.69 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.404 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 28.0 m120 -83.79 -35.56 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -39.02 -47.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -74.82 -45.66 41.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' ALA . 9.7 mmt-85 -36.68 -43.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -81.43 -52.79 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -47.65 -64.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.4 m -39.92 -47.92 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 111' ' ' CYS . 1.8 mmt -59.8 -61.51 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.7 ' HB3' ' HB2' ' A' ' 120' ' ' ALA . 7.6 t -36.5 -55.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -40.78 -42.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' HIS . 3.0 ttp180 -90.72 -68.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' ARG . 2.5 m-70 -34.38 -65.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 137' ' ' ILE . 28.9 m-85 -94.18 -62.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.1 163.1 14.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 44.8 p -66.3 -46.11 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.1 m -51.61 -39.74 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.4 t -73.04 -56.88 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.7 ' HB2' ' HB3' ' A' ' 111' ' ' CYS . . . -51.26 -61.38 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -38.24 -51.91 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 88.2 m -43.63 -46.59 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.451 HD12 HD13 ' A' ' 133' ' ' LEU . 50.6 mm -55.61 -41.95 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.68 -45.55 89.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 70.0 p -66.67 -40.26 88.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -52.07 119.2 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -55.6 176.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 55.3 m -77.46 -55.98 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -39.16 -48.39 1.73 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -39.97 -44.15 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.527 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 14.6 m-85 -52.08 157.46 2.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.674 0.75 . . . . 0.0 110.837 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.72 146.89 83.35 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.385 -0.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.451 HD13 HD12 ' A' ' 123' ' ' ILE . 12.4 mt -92.43 119.01 31.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.484 ' HZ ' HD13 ' A' ' 87' ' ' LEU . 8.4 t80 -113.12 107.59 16.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.71 160.07 15.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.3 mt -124.29 108.06 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 115' ' ' PHE . 3.7 mp -95.78 104.45 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.467 ' HB3' HD13 ' A' ' 147' ' ' LEU . 5.5 ttp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.799 0.333 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -153.25 133.63 13.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.545 HG12 HG13 ' A' ' 137' ' ' ILE . 3.7 m -72.19 125.21 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 138' ' ' MET . 10.0 mp -83.82 -28.4 28.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -147.93 151.36 35.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.8 110.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.442 HG21 HG21 ' A' ' 154' ' ' THR . 24.9 mt -96.09 118.82 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -52.22 -58.27 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 150.93 -17.58 0.94 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -79.85 8.75 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.442 HG21 HG21 ' A' ' 150' ' ' ILE . 12.4 t -69.92 157.22 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 158' ' ' GLU . 16.8 p -95.06 137.04 34.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.604 ' HA ' HD12 ' A' ' 159' ' ' LEU . 63.1 t -39.51 -48.9 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.39 -38.95 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 155' ' ' THR . 19.6 mm-40 -71.2 -42.07 69.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 156' ' ' VAL . 37.9 mt -46.01 -59.02 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 38.8 tpp -45.69 -45.51 14.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -56.52 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -50.45 -52.25 39.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.79 -55.62 31.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.2 mmt -50.48 -45.62 56.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.9 -56.61 17.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.406 ' HB3' ' HZ ' ' A' ' 91' ' ' PHE . . . -40.36 -49.94 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.652 ' O ' HG22 ' A' ' 171' ' ' THR . 3.3 mmt -66.95 -60.85 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -41.82 -42.55 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 26.5 mt -70.4 -45.24 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.27 -63.69 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 167' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.1 -52.86 29.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.66 ' HA ' HD12 ' A' ' 18' ' ' LEU . 14.0 m-20 -55.35 -46.43 76.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.16 -45.45 61.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 95' ' ' ALA . 63.0 mt -69.09 -43.9 73.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 15' ' ' ASP . 9.4 mt -45.77 -23.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.48 -61.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 1.3 t80 -49.52 -39.53 34.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.484 HG23 ' HD2' ' A' ' 35' ' ' PHE . 97.8 m -57.3 -64.0 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.67 -47.7 50.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.74 -59.32 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -42.49 -37.22 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' GLY . 40.3 t -62.07 -61.12 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 m -59.0 -45.62 90.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -42.89 -60.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -96.91 -64.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' SER . . . -176.64 170.93 43.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 3.9 m-20 -60.18 -43.97 95.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -52.44 109.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 1.5 p80 -168.11 152.52 6.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.699 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.434 ' HB2' HG21 ' A' ' 93' ' ' THR . 54.3 Cg_endo -69.74 151.84 69.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.97 102.62 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.484 ' HD2' HG23 ' A' ' 21' ' ' THR . 89.0 m-85 -77.02 122.87 25.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.97 125.56 24.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.529 HD12 ' HG ' ' A' ' 18' ' ' LEU . 26.8 mm -89.22 117.31 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.88 -159.51 27.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.2 p -83.03 177.88 8.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.382 . . . . 0.0 110.831 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.436 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 9.3 tp -81.06 -41.77 22.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -53.49 -42.12 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.6 -53.24 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.669 ' HB1' HD13 ' A' ' 58' ' ' LEU . . . -40.77 -56.77 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.781 ' CE1' HD23 ' A' ' 58' ' ' LEU . 45.0 m-85 -46.79 -38.9 10.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.466 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 34.4 mt-30 -74.48 -61.58 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -46.9 -19.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.25 -51.24 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 5.0 m-85 -97.58 -65.14 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.466 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 3.3 m-85 -32.84 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 48' ' ' PHE . 17.8 m -59.77 171.77 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -57.36 164.07 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.35 -35.27 79.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -72.31 -21.61 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -107.65 11.39 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -65.44 139.96 58.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 89' ' ' GLN . 49.5 mtmt -155.73 177.87 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 22.7 mt -111.77 154.65 24.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.781 HD23 ' CE1' ' A' ' 44' ' ' PHE . 28.9 tp -104.4 154.09 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.552 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -147.67 114.24 6.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.21 129.55 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -114.54 113.79 24.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.983 HD12 ' HB2' ' A' ' 133' ' ' LEU . 52.3 mt -87.42 113.75 23.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -98.53 122.19 41.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 13.9 t-80 -129.19 142.88 50.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.67 -59.2 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 18.8 mm-40 -39.16 -44.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.5 t -55.64 157.34 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.2 m -108.31 -26.15 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 58.5 mt -80.2 12.32 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 m -85.51 -41.5 15.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.3 p-10 -73.36 -45.83 52.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 73' ' ' PHE . 33.3 m -68.96 -51.15 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.65 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 2.4 t80 -47.78 -48.71 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.685 ' CB ' HD12 ' A' ' 78' ' ' LEU . 32.1 p -77.35 -46.21 23.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 23.1 t -66.29 -14.53 62.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' VAL . 55.4 mm-40 -108.55 -38.56 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.672 ' SD ' HD11 ' A' ' 159' ' ' LEU . 12.7 mtt -100.75 -50.25 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.685 HD12 ' CB ' ' A' ' 74' ' ' CYS . 73.4 mt -80.97 17.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.401 ' HB3' ' C ' ' A' ' 75' ' ' SER . 6.7 p -104.83 -22.38 13.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -84.09 122.71 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 85' ' ' SER . 27.9 mm-40 -56.04 -40.33 73.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -60.17 -42.43 94.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.465 HG13 ' CG2' ' A' ' 156' ' ' VAL . 34.7 mm -68.17 -58.33 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.421 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 35.3 m -61.44 -26.86 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 28.6 t -74.51 -55.32 6.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.639 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 5.0 t80 -66.76 -41.91 87.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' PHE . 14.1 tp -61.28 -35.09 76.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.7 t -83.83 -37.06 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.425 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 8.9 mt-30 -76.6 -61.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.639 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 5.9 m-80 -67.24 -40.61 86.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.6 ' CG ' HD22 ' A' ' 163' ' ' LEU . 4.0 m-85 -116.96 165.5 13.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -95.18 116.29 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 33' ' ' PRO . 9.4 m -74.33 135.96 42.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.436 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 3.1 t90 -156.62 118.08 3.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.431 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -116.9 150.94 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -144.91 125.55 14.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -86.85 127.67 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 104' ' ' ARG . 4.9 mp -116.37 8.62 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.6 m -40.51 -62.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.18 125.56 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -40.18 -43.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.5 t -46.48 -52.08 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 104' ' ' ARG . 31.9 m120 -65.83 -52.76 47.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.831 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.599 ' HA ' HD23 ' A' ' 98' ' ' LEU . 20.6 ttp180 -37.53 -46.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.68 -47.84 61.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -43.48 -64.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.515 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 78.6 t80 -45.86 -58.33 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.7 mt -46.6 -39.14 10.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 95.1 m -73.26 -65.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.417 ' CG ' ' HA ' ' A' ' 107' ' ' PHE . 8.0 ptp -49.58 -29.38 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.65 -41.56 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.498 ' HA ' ' CA ' ' A' ' 116' ' ' GLY . 42.5 t-20 -73.03 -51.9 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -43.36 22.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -88.91 -70.55 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.47 ' CB ' HG11 ' A' ' 119' ' ' VAL . 18.6 m-85 -73.49 -69.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.498 ' CA ' ' HA ' ' A' ' 112' ' ' ASN . . . 147.06 177.96 22.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.7 t -73.18 -46.35 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.5 m -39.35 -36.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.47 HG11 ' CB ' ' A' ' 115' ' ' PHE . 3.0 p -91.59 -42.98 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.36 -46.8 66.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -48.3 -55.76 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 93.6 m -46.62 -46.01 19.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.46 HG21 ' HE2' ' A' ' 107' ' ' PHE . 26.8 mm -58.58 -41.51 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 124' ' ' ARG . 24.1 ttm105 -59.76 -46.58 88.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 56.8 p -66.68 -40.36 88.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -52.12 114.33 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -57.04 171.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.3 m -64.98 -57.23 9.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.8 OUTLIER -44.86 -48.49 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 129' ' ' ASP . 73.2 mm-40 -36.54 -33.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.545 ' CE2' HD13 ' A' ' 62' ' ' LEU . 5.3 m-85 -65.02 155.54 83.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.77 161.85 85.36 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.32 -0.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.983 ' HB2' HD12 ' A' ' 62' ' ' LEU . 18.4 mt -114.08 105.81 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.552 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 11.0 t80 -93.65 118.56 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.22 142.87 49.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 148' ' ' ASN . 67.2 mt -110.63 130.9 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 144' ' ' ASN . 4.8 mp -124.07 142.12 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.61 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 4.8 ttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.456 ' HB3' HG21 ' A' ' 137' ' ' ILE . 1.1 m120 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -141.08 130.61 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 1.9 m -73.14 146.02 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.3 mp -107.78 -32.17 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ASN . . . . . 0.473 ' HB2' HD12 ' A' ' 136' ' ' ILE . 3.8 m120 -135.85 142.41 44.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 91.9 t -127.61 105.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.61 HG21 HG21 ' A' ' 154' ' ' THR . 58.9 mt -96.54 120.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 132' ' ' PRO . 8.7 mp0 -62.04 -69.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 168.64 -23.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -81.03 16.53 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.61 HG21 HG21 ' A' ' 150' ' ' ILE . 11.2 t -75.11 161.88 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 48.1 p -99.07 143.92 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 83' ' ' ILE . 12.4 p -46.2 -38.45 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -60.35 -43.59 96.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 161' ' ' MET . 7.4 mm-40 -53.59 -48.27 69.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.672 HD11 ' SD ' ' A' ' 77' ' ' MET . 30.9 mt -45.41 -51.98 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 3.8 mmt -46.88 -57.52 4.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 158' ' ' GLU . 5.3 ptm -63.43 -36.21 82.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 161' ' ' MET . 35.6 mmt-85 -58.83 -41.53 87.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.6 HD22 ' CG ' ' A' ' 91' ' ' PHE . 65.4 mt -74.95 -48.38 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 13.5 mtt -58.96 -54.66 44.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 168' ' ' GLU . . . -54.19 -40.68 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -60.07 -28.05 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.4 mmt -74.89 -55.74 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 8.4 pt-20 -56.26 -37.27 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 86.1 mt -72.19 -58.35 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -38.82 -63.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.58 ' OE2' ' CZ3' ' A' ' 96' ' ' TRP . 6.6 mm-40 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.18 -69.32 0.91 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.644 ' HA ' HD12 ' A' ' 18' ' ' LEU . 39.0 t0 -45.1 -43.2 9.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.38 89.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 21' ' ' THR . 66.0 mt -70.45 -40.72 73.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 15' ' ' ASP . 13.7 mt -50.23 -45.98 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -61.8 -45.56 93.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -62.1 -35.63 79.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.684 HG22 ' HD2' ' A' ' 35' ' ' PHE . 43.7 p -70.65 -53.61 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.6 -36.47 66.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -78.64 -41.59 31.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.5 t80 -56.77 -52.1 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' GLY . 11.0 p -48.34 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 m -56.85 -51.92 67.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -39.72 -61.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -95.42 -65.54 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 178.89 170.74 41.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -64.1 -44.12 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 103.64 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -167.74 152.76 6.71 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.612 0.72 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.52 6.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.531 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 31.1 m -52.56 173.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.684 ' HD2' HG22 ' A' ' 21' ' ' THR . 20.9 m-85 -141.37 132.95 27.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.17 115.72 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.511 HD12 ' HG ' ' A' ' 18' ' ' LEU . 39.9 mm -72.82 102.68 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.17 -172.97 35.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.1 t -89.23 156.22 18.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.648 HD11 HD21 ' A' ' 58' ' ' LEU . 25.0 tp -57.7 -46.07 84.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -46.69 -40.09 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -77.18 -56.9 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -37.49 -37.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE2' ' HG ' ' A' ' 40' ' ' LEU . 20.7 m-85 -56.94 -46.31 82.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 5.0 pt20 -56.65 -51.32 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' O ' HG11 ' A' ' 50' ' ' VAL . 6.7 tt0 -53.6 -17.84 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.1 -47.21 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -97.89 -68.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 7.2 m-85 -33.8 -34.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 46' ' ' GLU . 18.5 m -56.99 173.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HE2' ' NH2' ' A' ' 53' ' ' ARG . 13.9 mtpp -52.7 150.18 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -27.29 68.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' NH2' ' HE2' ' A' ' 51' ' ' LYS . 30.3 mtm105 -86.57 -42.11 13.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -80.99 12.94 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 27.2 mtt-85 -54.71 169.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 33.6 mtmt -165.27 174.83 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.725 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 79.4 mt -112.4 163.59 14.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.648 HD21 HD11 ' A' ' 40' ' ' LEU . 33.4 tp -108.36 154.87 21.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -148.15 106.88 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.6 mt -83.84 132.34 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.513 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 67.0 t80 -117.27 102.16 9.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 133' ' ' LEU . 45.6 mt -83.02 112.42 19.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -88.22 147.48 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.0 t-80 -157.85 124.68 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.79 -55.28 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 20.4 mt-10 -37.55 -49.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -52.73 159.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 69' ' ' LEU . 30.8 m -98.01 -41.23 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.166 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 68' ' ' VAL . 15.1 mt -61.01 -26.49 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 64' ' ' HIS . 97.2 m -60.62 -46.22 91.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -52.36 -57.38 9.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.72 HG23 ' H ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -69.83 -69.04 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.72 ' H ' HG23 ' A' ' 72' ' ' VAL . 5.5 t80 -34.25 -32.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.5 m -58.46 -61.66 2.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.417 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 88.2 p -96.38 1.04 51.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -97.93 -54.47 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.582 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -89.02 -72.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 94.0 mt -40.83 -22.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.1 m -80.77 16.82 1.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -89.68 103.36 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -51.05 -22.69 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.9 p -83.24 -44.54 14.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 51.1 mm -69.4 -44.45 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.452 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 12.0 m -65.45 -18.29 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -92.8 -50.56 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 90' ' ' ASN . 5.8 t80 -72.49 -29.85 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 83' ' ' ILE . 63.0 tp -62.53 -36.77 83.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.1 p -92.76 -41.0 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.15 -48.5 81.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.498 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 9.4 m-80 -93.06 -51.41 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.725 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -100.19 178.15 4.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.7 mm -109.08 121.06 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -73.13 131.32 41.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.462 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 16.3 t90 -157.94 108.15 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.65 151.99 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CZ3' ' OE2' ' A' ' 13' ' ' GLU . 73.4 t-105 -149.82 104.85 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.5 107.99 4.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -113.3 9.4 18.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.2 m -45.24 -61.36 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.5 154.2 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.33 -44.03 97.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 m -53.43 -60.54 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 104' ' ' ARG . 55.9 m-80 -64.14 -44.47 92.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -34.35 -56.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.42 -35.39 60.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.33 -43.18 53.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.42 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 5.4 t80 -60.92 -45.9 92.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.61 -36.1 61.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.0 m -59.13 -26.36 64.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.3 mtt -87.02 -51.03 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.498 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 12.2 p -51.36 -24.63 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 117' ' ' SER . 30.9 t30 -85.96 -59.34 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -36.49 56.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.496 ' CD2' HD23 ' A' ' 40' ' ' LEU . 88.2 m-70 -80.86 -68.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.481 ' CE1' HG12 ' A' ' 137' ' ' ILE . 5.7 m-85 -81.79 -66.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.33 178.88 25.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.428 ' N ' ' OD1' ' A' ' 112' ' ' ASN . 3.8 m -73.94 -52.81 11.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 117' ' ' SER . 88.0 t -36.79 -52.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.626 HG13 ' N ' ' A' ' 120' ' ' ALA . 8.0 p -76.24 -52.79 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.626 ' N ' HG13 ' A' ' 119' ' ' VAL . . . -39.38 -28.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 119' ' ' VAL . 51.6 tt0 -68.39 -50.04 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.2 t -37.72 -36.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.9 mt -77.23 -49.96 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -42.61 -35.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 71.7 p -76.46 -37.89 56.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.437 ' CB ' HD11 ' A' ' 133' ' ' LEU . 29.1 mm-40 -54.86 118.5 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -64.74 178.2 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 66' ' ' GLU . 16.6 m -76.37 -46.06 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.9 -36.54 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -60.97 -42.0 97.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 17.7 m-85 -52.06 156.78 2.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.8 Cg_endo -69.74 148.81 87.44 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.367 -0.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.569 ' HB2' HD12 ' A' ' 62' ' ' LEU . 12.3 mt -98.38 106.66 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.459 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.3 t80 -95.61 107.4 19.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.89 167.29 9.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 48.1 mt -133.63 118.91 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.481 HG12 ' CE1' ' A' ' 115' ' ' PHE . 3.6 mp -112.89 148.25 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.533 ' HB2' HD11 ' A' ' 147' ' ' LEU . 2.9 ttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 1.2 p30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.771 0.319 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.402 ' O ' HG23 ' A' ' 137' ' ' ILE . 0.3 OUTLIER -150.72 158.66 44.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 67.1 t -93.97 125.75 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 138' ' ' MET . 35.9 mt -86.21 -67.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -109.0 154.98 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 71.6 t -131.72 115.6 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.514 HG21 HG21 ' A' ' 154' ' ' THR . 55.8 mt -105.05 125.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.25 -57.07 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 149.87 -24.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -72.05 -1.99 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.514 HG21 HG21 ' A' ' 150' ' ' ILE . 13.3 t -59.79 159.85 8.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.5 p -107.6 153.26 23.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.561 ' HA ' HD12 ' A' ' 159' ' ' LEU . 66.2 t -42.37 -51.38 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -48.67 -51.56 27.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -58.18 -44.57 88.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 156' ' ' VAL . 36.8 mt -51.92 -46.19 64.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.443 ' CE ' HD13 ' A' ' 83' ' ' ILE . 8.5 mmt -50.36 -49.91 52.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.2 mtt -60.84 -58.77 7.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -43.81 -61.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.93 -54.84 41.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.6 mmm -42.86 -60.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 167' ' ' MET . . . -53.25 -64.49 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' A' ' 169' ' ' ILE . . . -34.82 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 165' ' ' ALA . 4.7 tmm? -70.06 -67.37 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 1.4 pp20? -50.71 -36.36 35.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 166' ' ' ALA . 92.9 mt -52.6 -39.89 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 7.5 t80 -77.12 -58.48 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.87 -58.93 5.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.73 -50.07 73.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.8 43.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' LEU . 88.4 mt -65.46 -54.36 29.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' LEU . 27.8 mt -36.34 -54.93 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -55.22 -44.77 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' LEU . 42.0 t80 -62.93 -51.23 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -61.67 -64.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.42 -41.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -79.68 -37.81 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -59.33 -40.95 87.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -53.14 -54.85 29.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -73.14 -35.21 66.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -41.68 -63.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.566 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 5.1 m-85 -98.16 -42.56 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 159.04 146.8 4.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -41.27 -47.54 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 m -52.09 103.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -168.36 153.51 6.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.573 0.702 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.99 8.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 34' ' ' VAL . 13.9 p -56.79 114.55 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD1' HG22 ' A' ' 93' ' ' THR . 76.4 m-85 -88.42 135.3 33.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.29 118.71 9.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.4 mm -82.02 109.33 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.43 -155.54 26.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -94.17 143.41 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.733 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 11.9 tp -50.26 -50.82 48.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.08 -47.95 4.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . -54.55 -54.76 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.725 ' HB1' HD13 ' A' ' 58' ' ' LEU . . . -34.09 -36.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' ALA . 62.8 m-85 -67.5 -57.87 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 16.7 pt20 -61.0 -40.38 93.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 45' ' ' GLN . 4.0 tp10 -62.09 -8.26 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.57 -40.18 3.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 49' ' ' TYR . 19.8 m-85 -98.03 -70.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.513 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 7.5 m-85 -33.55 -40.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 54' ' ' ASP . 31.8 m -52.22 162.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -56.18 174.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.13 -33.02 71.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -71.47 -19.88 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.428 ' O ' HG21 ' A' ' 50' ' ' VAL . 10.8 t70 -110.01 17.77 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -64.25 134.5 54.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 9.2 mtmp? -153.86 177.94 10.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.476 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 85.7 mt -112.44 168.51 9.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.725 HD13 ' HB1' ' A' ' 43' ' ' ALA . 24.9 tp -107.49 140.15 40.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB3' HD11 ' A' ' 87' ' ' LEU . . . -133.19 110.18 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.2 mt -89.12 134.16 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.518 ' CE2' HD11 ' A' ' 78' ' ' LEU . 31.3 t80 -121.44 106.96 11.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.758 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 55.4 mt -84.61 118.72 24.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.476 ' CE1' HG21 ' A' ' 70' ' ' THR . 50.2 t-80 -101.77 136.63 41.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 1.6 t-80 -143.31 106.32 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 17.9 t0 -54.67 -61.27 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 31.7 mm-40 -33.99 -44.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 t -56.02 156.28 5.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.8 m -98.48 -29.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.4 mt -68.08 -42.06 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.476 HG21 ' CE1' ' A' ' 63' ' ' HIS . 58.0 m -48.74 -32.3 8.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -67.91 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.588 HG23 ' N ' ' A' ' 73' ' ' PHE . 16.4 m -62.42 -55.24 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.601 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 9.1 t80 -43.53 -26.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.566 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 14.2 t -61.6 -60.16 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.3 p -94.52 -1.29 53.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -88.53 -56.12 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.678 ' HG2' HG22 ' A' ' 156' ' ' VAL . 11.8 mtt -111.3 -34.73 6.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.518 HD11 ' CE2' ' A' ' 61' ' ' TYR . 10.1 mt -79.25 16.15 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.7 p -99.62 -33.42 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -54.04 116.96 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' HA ' HG22 ' A' ' 84' ' ' VAL . 31.6 mt-10 -65.32 -41.74 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 t -56.58 -34.66 67.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.4 mt -80.71 -68.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 80' ' ' ALA . 29.1 m -43.45 -23.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 t -90.13 -50.88 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.508 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 t80 -58.59 -42.32 87.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 91' ' ' PHE . 16.2 tp -59.1 -36.6 75.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.5 p -82.63 -35.72 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -71.99 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 5.3 m-80 -74.85 -51.57 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.491 ' HB2' HD12 ' A' ' 87' ' ' LEU . 3.9 m-85 -100.05 178.4 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.413 HD11 ' NZ ' ' A' ' 56' ' ' LYS . 35.0 mm -109.68 109.6 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.545 HG22 ' CD1' ' A' ' 35' ' ' PHE . 24.0 m -75.29 131.13 40.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.733 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 62.3 t90 -147.16 125.66 12.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.542 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -115.39 153.4 31.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.525 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 76.1 t-105 -149.25 102.59 3.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 4.3 p-10 -68.44 105.15 2.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 104' ' ' ARG . 2.0 pt? -110.8 17.63 20.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.9 m -49.69 -47.56 50.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -66.99 127.99 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.47 -47.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.3 m -49.69 -57.39 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.444 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 33.9 m120 -60.56 -51.45 69.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.626 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.4 ttt180 -43.14 -45.78 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.93 80.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -50.1 -57.16 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.758 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 72.0 t80 -49.84 -45.28 50.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.409 ' HA ' ' SG ' ' A' ' 111' ' ' CYS . 11.1 mt -70.6 -24.47 62.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 52.5 m -79.63 -35.35 39.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 113' ' ' ARG . 23.8 ptm -80.64 -50.28 10.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 108' ' ' LEU . 22.9 p -38.95 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' MET . 17.2 t-20 -75.44 -41.72 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 110' ' ' MET . 13.2 mmt180 -76.19 -37.92 57.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.07 -69.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -78.18 -68.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.81 -173.87 25.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.3 t -75.42 -55.18 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.397 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.531 HG23 HG23 ' A' ' 119' ' ' VAL . 23.9 m -40.05 -41.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.531 HG23 HG23 ' A' ' 118' ' ' VAL . 95.5 t -82.95 -59.22 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 119' ' ' VAL . . . -34.21 -37.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 119' ' ' VAL . 1.2 tm0? -58.04 -50.28 73.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 119' ' ' VAL . 1.2 t -46.09 -28.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.471 HD13 ' HE2' ' A' ' 107' ' ' PHE . 62.6 mt -90.26 -47.25 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -42.86 -39.81 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 77.4 p -71.39 -40.24 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.513 ' OE1' ' NE2' ' A' ' 151' ' ' GLN . 23.7 mm-40 -52.05 128.4 24.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.432 ' H ' ' CG ' ' A' ' 130' ' ' GLN . 5.6 mmmm -90.86 178.14 6.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.4 HG23 ' NE2' ' A' ' 64' ' ' HIS . 95.0 m -58.13 -48.51 80.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.8 OUTLIER -55.86 -50.88 69.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.432 ' CG ' ' H ' ' A' ' 127' ' ' LYS . 5.9 mm100 -36.42 -45.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.536 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 80.1 m-85 -52.39 154.63 4.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.75 -177.08 13.76 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.336 -0.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.508 ' HB2' HD12 ' A' ' 62' ' ' LEU . 12.3 mt -134.68 108.23 7.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -93.77 109.54 21.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.55 154.06 28.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.2 mt -114.93 111.53 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.736 HD13 HG12 ' A' ' 146' ' ' VAL . 13.9 mm -92.28 133.66 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.564 HD21 ' N ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.796 0.331 . . . . 0.0 110.921 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -144.15 135.41 25.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.736 HG12 HD13 ' A' ' 137' ' ' ILE . 3.2 m -72.35 120.7 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.33 -34.25 65.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -142.95 152.2 41.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 100.0 t -130.73 114.17 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 20.3 mt -99.64 123.28 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.513 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 7.8 mm-40 -62.48 -63.34 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 161.99 -23.81 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.435 ' C ' ' OD1' ' A' ' 153' ' ' ASN . 5.6 p30 -81.74 15.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 15.2 t -65.99 172.34 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.8 p -105.03 143.08 33.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.68 ' HA ' HD12 ' A' ' 159' ' ' LEU . 59.4 t -46.57 -51.49 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -54.03 -44.84 71.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -55.95 -47.02 78.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 156' ' ' VAL . 26.9 mt -45.33 -55.87 5.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 1.6 mmt -50.33 -48.77 55.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 10.2 mtm -60.77 -46.69 89.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -49.73 -54.45 18.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.29 -60.62 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 23.6 mmm -43.88 -53.37 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 166' ' ' ALA . . . -55.91 -60.66 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.63 -36.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 165' ' ' ALA . 82.2 mmm -67.89 -68.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 8.8 pt-20 -48.48 -41.01 28.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.468 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 78.7 mt -60.49 -52.23 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -40.3 -61.77 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.904 0.383 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' ASP . . . -39.68 -71.02 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.9 m-20 -35.33 -52.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.84 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.65 -56.91 13.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 17' ' ' LEU . 32.1 mt -55.45 -43.21 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 mt -49.74 -44.28 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -61.94 -48.24 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.53 -44.95 96.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -63.61 -42.2 98.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.22 -51.86 58.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 53.0 mm-40 -64.17 -47.21 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -57.63 -46.21 84.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 t -43.51 -57.03 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -71.78 -49.55 37.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 17.8 mtt85 -42.47 -57.9 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.539 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 40.5 m-85 -92.37 -65.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.83 165.81 31.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.01 -36.35 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -63.24 107.14 1.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -167.36 155.1 8.5 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.595 0.712 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.786 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.3 Cg_endo -69.82 132.29 22.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.371 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.0 t -57.98 102.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.692 ' CD1' HG22 ' A' ' 93' ' ' THR . 78.4 m-85 -78.12 123.36 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -62.72 110.47 1.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -71.84 102.23 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.35 -164.41 37.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.1 p -93.14 162.67 13.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.8 -41.58 57.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -71.92 -49.07 40.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.53 -48.77 27.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.12 76.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.641 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 10.2 m-85 -46.94 -33.81 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.477 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 83.6 mt-30 -64.86 -58.98 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.55 -16.87 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.7 -50.39 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 49' ' ' TYR . 7.2 m-85 -97.98 -65.18 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.477 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 4.7 m-85 -33.07 -38.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.792 HG21 ' O ' ' A' ' 54' ' ' ASP . 13.9 m -52.2 178.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.139 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -77.87 148.89 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' N ' ' HG3' ' A' ' 51' ' ' LYS . . . -39.48 -42.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -69.05 -33.87 74.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.792 ' O ' HG21 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -95.68 18.06 13.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 37.5 mtp85 -67.27 149.44 50.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HE3' HD11 ' A' ' 92' ' ' ILE . 27.3 mtmt -162.08 175.56 11.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.937 HD22 ' HA ' ' A' ' 138' ' ' MET . 80.5 mt -114.09 154.06 28.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.641 HD23 ' CZ ' ' A' ' 44' ' ' PHE . 12.0 tp -106.47 153.38 22.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' N ' ' HG ' ' A' ' 58' ' ' LEU . . . -148.28 112.84 5.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 137' ' ' ILE . 5.2 mp -84.13 124.71 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -107.32 102.22 11.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 133' ' ' LEU . 84.7 mt -67.37 135.33 53.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -125.52 115.46 20.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 131' ' ' PHE . 12.4 t-80 -118.18 102.73 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.87 -55.91 14.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 12.5 mt-10 -38.3 -37.21 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.43 ' HA ' HG22 ' A' ' 128' ' ' THR . 44.7 t -65.53 158.21 27.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -98.1 -22.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 30.7 mt -77.61 -10.58 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -63.56 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.505 ' ND2' HG13 ' A' ' 72' ' ' VAL . 1.3 p-10 -44.28 -48.02 9.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.634 HG23 ' H ' ' A' ' 73' ' ' PHE . 13.0 m -70.39 -56.94 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.634 ' H ' HG23 ' A' ' 72' ' ' VAL . 11.7 t80 -53.39 -15.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.505 ' CB ' ' CE2' ' A' ' 28' ' ' TYR . 14.8 m -77.68 -54.04 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.416 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 57.5 p -95.77 -3.59 45.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' VAL . 45.0 mm-40 -101.06 -49.23 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.588 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.45 -69.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 10.5 mt -41.43 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -81.93 17.96 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -81.84 102.11 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.21 -37.22 82.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.5 m -68.35 -31.66 71.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.484 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 81.6 mt -81.97 -68.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 85' ' ' SER . 29.3 m -37.29 -41.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 84' ' ' VAL . 56.4 p -60.37 -55.28 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -72.08 -59.41 2.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' PHE . 14.9 tp -42.32 -32.13 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.7 t -90.32 -35.62 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -69.85 -57.82 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -81.74 -45.92 14.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.475 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.3 m-85 -104.87 175.85 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.478 HD11 ' HE3' ' A' ' 56' ' ' LYS . 51.3 mm -109.45 123.76 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.786 HG21 ' HB2' ' A' ' 33' ' ' PRO . 18.3 m -78.71 117.64 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -142.72 116.29 9.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -115.66 156.41 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -144.36 139.3 28.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.4 122.52 38.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.662 HD11 HD22 ' A' ' 62' ' ' LEU . 5.4 mp -100.85 -21.82 15.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' LEU . 15.5 m -33.05 -44.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -70.06 118.88 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -51.11 -58.33 6.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 p -46.49 -33.94 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 106' ' ' ARG . 1.9 m-80 -77.93 -50.5 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 103' ' ' ASN . 12.2 ttp180 -33.92 -53.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.22 -45.19 91.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ASN . 47.1 mtp85 -47.36 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.54 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 90.7 t80 -40.86 -54.27 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 40.9 mt -55.45 -41.49 72.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.3 m -70.94 -65.34 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 9.0 ptt? -49.04 -43.27 40.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 107' ' ' PHE . 16.1 m -52.28 -60.32 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.42 ' HA ' ' CA ' ' A' ' 116' ' ' GLY . 1.5 t30 -38.94 -40.06 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -43.84 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 111' ' ' CYS . 16.4 m170 -95.92 -67.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.752 ' CB ' HG11 ' A' ' 119' ' ' VAL . 1.8 m-85 -65.91 -68.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.42 ' CA ' ' HA ' ' A' ' 112' ' ' ASN . . . 143.14 -176.55 22.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.0 p -79.28 -48.85 13.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.7 t -48.98 -54.58 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.752 HG11 ' CB ' ' A' ' 115' ' ' PHE . 5.0 p -59.95 -47.92 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.489 ' N ' HG13 ' A' ' 119' ' ' VAL . . . -54.18 -57.37 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -38.51 -57.73 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.9 m -46.24 -41.72 13.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.8 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -29.53 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.7 p -81.44 4.91 19.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -84.55 109.4 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -53.2 170.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.43 HG22 ' HA ' ' A' ' 67' ' ' SER . 36.3 m -61.02 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.4 OUTLIER -37.52 -50.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' ASP . 29.4 mm100 -36.84 -54.55 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.537 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 80.4 m-85 -52.23 154.77 3.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.79 -177.19 14.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.329 0.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.763 ' HB2' HD12 ' A' ' 62' ' ' LEU . 77.9 mt -143.04 104.84 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -90.93 119.19 30.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.02 146.55 40.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 57.0 mt -114.96 127.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.446 HD13 HD12 ' A' ' 60' ' ' ILE . 5.0 mp -122.07 134.96 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.937 ' HA ' HD22 ' A' ' 57' ' ' LEU . 4.3 ptt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.752 0.31 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -156.37 144.02 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 146' ' ' VAL . 2.9 m -79.62 120.13 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 147' ' ' LEU . 2.5 mm? -72.78 -35.94 67.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -146.8 152.21 38.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.17 106.38 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.883 HD13 HD23 ' A' ' 159' ' ' LEU . 19.9 mt -92.1 139.88 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -77.69 -51.84 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 138.95 -25.3 2.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -75.38 0.8 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.958 0.408 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.3 t -73.87 171.23 13.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.167 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 67.4 p -87.76 136.89 32.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.558 ' HA ' HD12 ' A' ' 159' ' ' LEU . 12.8 p -42.36 -33.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.32 -43.18 78.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -54.44 -45.0 72.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.883 HD23 HD13 ' A' ' 150' ' ' ILE . 23.3 mt -47.59 -46.61 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 33.5 tpp -48.66 -58.04 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 162' ' ' ARG . 10.4 mtt -51.18 -56.63 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.693 ' HG3' HD11 ' A' ' 150' ' ' ILE . 11.9 mmp_? -36.58 -51.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 23.5 mt -57.5 -55.54 33.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.5 mmt -51.04 -50.56 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -42.85 -49.41 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.21 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 55.4 mmm -71.77 -56.36 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' GLU . . . . . 0.641 ' O ' HG22 ' A' ' 171' ' ' THR . 9.2 mm-40 -47.47 -40.97 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 69.8 mt -77.21 -50.81 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 170' ' ' PHE . 2.1 t80 -44.45 -52.73 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 168' ' ' GLU . 4.3 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.87 -63.85 1.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -39.99 -58.49 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.1 -48.26 22.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.12 -53.89 46.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 mt -40.33 -40.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.67 -43.91 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 1.1 t80 -67.23 -42.85 83.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.2 p -57.57 -53.85 53.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -60.6 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 20' ' ' PHE . 22.3 pt-20 -52.73 -41.45 64.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.1 t80 -63.3 -45.68 90.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 t -47.12 -51.26 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -76.62 -46.67 25.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -47.65 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 52.7 m-85 -90.43 -67.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.05 -167.79 40.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -101.24 0.78 38.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' HG11 ' A' ' 84' ' ' VAL . 10.4 m -81.8 18.0 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.32 153.43 40.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.3 Cg_endo -69.77 139.7 40.84 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.658 2.238 . . . . 0.0 112.327 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.94 114.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 73.7 m-85 -85.19 140.16 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 t80 -73.96 120.52 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -81.35 115.45 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.35 -157.74 27.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.0 t -97.09 152.48 18.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.821 HD23 ' CD2' ' A' ' 114' ' ' HIS . 66.1 tp -51.86 -45.46 64.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -42.43 -48.75 5.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -65.01 -55.03 21.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -36.09 -29.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' ALA . 34.0 m-85 -71.53 -57.24 4.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -54.9 -38.28 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -63.21 -12.64 29.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.91 -57.34 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' VAL . 9.3 m-85 -94.45 -70.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.47 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 25.9 m-85 -34.74 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.513 HG22 ' H ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -52.08 170.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.513 ' H ' HG22 ' A' ' 50' ' ' VAL . 23.0 tttp -52.36 149.31 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.5 -42.78 74.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -76.79 -38.33 54.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.472 ' O ' HG11 ' A' ' 50' ' ' VAL . 2.2 m-20 -83.06 17.39 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 15.7 mtm180 -58.65 143.07 47.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -147.21 174.79 11.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.788 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 98.3 mt -112.93 170.52 8.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 44' ' ' PHE . 16.7 tp -119.51 138.47 53.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.57 114.6 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.456 HG12 HD13 ' A' ' 137' ' ' ILE . 26.5 mm -79.62 138.64 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -132.67 124.88 29.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.782 HD11 HD13 ' A' ' 123' ' ' ILE . 42.0 mt -102.84 117.3 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.422 ' CE1' HG21 ' A' ' 70' ' ' THR . 20.8 t-80 -98.0 136.07 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.4 t-80 -143.5 118.75 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.2 -53.88 46.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 12.9 mm-40 -44.23 -47.5 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -58.45 117.32 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -62.26 -30.29 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD13 ' C ' ' A' ' 152' ' ' GLY . 13.4 mt -58.35 -43.78 88.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.422 HG21 ' CE1' ' A' ' 63' ' ' HIS . 92.5 m -56.22 -43.37 78.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -46.11 -58.32 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.641 HG23 ' N ' ' A' ' 73' ' ' PHE . 29.7 m -75.46 -54.47 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.641 ' N ' HG23 ' A' ' 72' ' ' VAL . 6.2 t80 -38.93 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' CE2' ' A' ' 28' ' ' TYR . 2.4 m -67.55 -51.19 53.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.472 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 17.0 m -95.34 -1.24 51.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' VAL . 90.6 mm-40 -105.59 -47.48 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.599 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.99 -51.51 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 68.3 mt -77.54 17.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 75' ' ' SER . 10.3 p -103.23 -34.08 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -56.62 102.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -56.17 -40.32 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 m -62.97 -44.42 96.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 45.1 mt -68.27 -64.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 31' ' ' CYS . 20.8 m -44.23 -33.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.0 m -78.05 -44.37 26.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -62.25 -43.69 98.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 91' ' ' PHE . 6.3 tp -64.87 -51.89 59.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 99.4 p -61.99 -43.88 97.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -61.1 -61.32 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -75.45 -62.27 1.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.788 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -86.33 176.67 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.0 mm -111.01 105.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.539 HG21 ' HB2' ' A' ' 33' ' ' PRO . 22.1 m -69.73 124.54 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.563 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 7.7 t90 -142.51 108.4 5.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -100.47 156.76 17.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -154.03 112.83 3.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -79.04 108.93 12.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.513 HD22 HD22 ' A' ' 62' ' ' LEU . 1.8 pt? -109.35 17.37 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 59.8 m -49.31 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 146.9 27.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 102' ' ' SER . 20.0 p-10 -52.71 -54.17 37.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 101' ' ' ASP . 10.7 t -35.59 -62.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' ARG . 28.3 m-20 -67.97 -44.46 76.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ASN . 32.5 ttt85 -35.68 -59.86 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.98 41.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -38.42 -58.42 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.448 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 18.0 t80 -49.13 -52.32 26.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.6 -44.92 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.8 m -57.65 -53.69 55.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 11.9 ptp -64.12 -36.5 84.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 110' ' ' MET . 4.1 t -53.07 -39.77 63.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 117' ' ' SER . 39.8 t-20 -62.89 -33.16 74.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -82.45 -56.54 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.821 ' CD2' HD23 ' A' ' 40' ' ' LEU . 29.2 m-70 -54.44 -68.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.572 ' CE1' HG12 ' A' ' 137' ' ' ILE . 18.6 m-85 -94.18 -68.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.414 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 161.62 160.12 10.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.507 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.464 ' HB3' ' ND2' ' A' ' 112' ' ' ASN . 27.1 p -54.07 -46.87 72.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 110.878 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.4 t -42.4 -55.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.3 t -54.6 -57.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -44.17 -54.84 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.044 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -49.35 -41.3 38.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 39.4 m -52.25 -40.73 62.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.782 HD13 HD11 ' A' ' 62' ' ' LEU . 78.3 mt -81.26 -42.28 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -57.7 -40.33 79.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.4 t -70.07 -28.77 65.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -63.28 150.91 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -80.66 163.86 23.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 42.2 m -59.64 -54.51 45.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.4 OUTLIER -50.03 -49.93 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 129' ' ' ASP . 67.3 mm-40 -34.16 -43.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.52 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 41.6 m-85 -52.09 156.28 2.79 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.638 0.733 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.6 Cg_endo -69.75 -177.27 14.16 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.72 -1.784 . . . . 0.0 112.353 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.676 ' HB2' HD12 ' A' ' 62' ' ' LEU . 19.3 mt -133.62 108.72 8.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -96.22 110.23 22.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.5 mp -112.39 153.35 27.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.472 HD12 ' HB2' ' A' ' 148' ' ' ASN . 62.2 mt -124.43 122.27 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 137' ' ' ILE . 3.9 mp -107.88 137.31 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.465 ' SD ' ' CD2' ' A' ' 57' ' ' LEU . 6.1 tpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.8 p30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -167.97 159.99 11.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.58 114.95 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 138' ' ' MET . 10.3 mp -80.21 -61.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ASN . . . . . 0.472 ' HB2' HD12 ' A' ' 136' ' ' ILE . 29.9 m120 -106.94 143.31 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 98.2 t -127.7 104.86 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.51 ' CG2' HG21 ' A' ' 154' ' ' THR . 65.3 mt -100.08 133.99 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -94.75 159.16 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.547 ' C ' HD13 ' A' ' 69' ' ' LEU . . . -59.87 -22.07 56.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -81.5 17.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.51 HG21 ' CG2' ' A' ' 150' ' ' ILE . 7.6 t -85.74 169.74 13.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 30.4 p -99.56 141.86 31.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.42 -30.39 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.9 -53.95 18.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -43.39 -46.44 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 86.8 mt -41.69 -66.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.406 ' HA ' HD12 ' A' ' 163' ' ' LEU . 15.3 ttm -44.69 -57.56 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 26.6 mtm -50.5 -61.54 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -43.56 -50.85 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 160' ' ' MET . 84.9 mt -48.43 -59.42 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 53.5 mtp -47.19 -56.63 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -44.94 -60.54 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -42.87 -43.34 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 30.4 mtp -58.71 -41.0 85.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' GLU . . . . . 0.756 ' O ' HG22 ' A' ' 171' ' ' THR . 14.9 mt-10 -59.23 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 76.0 mt -39.83 -52.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -39.43 -59.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 168' ' ' GLU . 1.4 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 27.3 tt0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -37.67 -61.8 1.04 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.875 ' HA ' HD12 ' A' ' 18' ' ' LEU . 7.1 m-20 -47.72 -48.29 29.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 13' ' ' GLU . . . -45.01 -44.49 10.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.68 -43.34 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 15' ' ' ASP . 10.2 mt -46.49 -46.09 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -58.27 -60.7 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -50.95 -60.05 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -38.88 -56.8 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.27 76.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -56.89 -62.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -46.2 -54.69 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.6 t -37.5 -64.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 t -63.81 -47.13 82.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -40.29 -62.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.599 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 14.6 m-85 -92.51 -63.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.02 165.74 34.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.46 -44.11 96.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -53.16 114.92 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' ND1' ' C ' ' A' ' 32' ' ' HIS . 2.7 p80 -167.79 152.99 6.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.449 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.79 134.45 27.94 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.13 109.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.434 ' CD1' HG22 ' A' ' 93' ' ' THR . 70.1 m-85 -88.18 125.65 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 7.6 t80 -69.65 120.12 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.7 mm -82.11 106.69 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.17 -154.9 25.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -103.33 148.47 25.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 40.3 tp -46.54 -40.43 12.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 5.6 mm-40 -63.75 -40.1 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.68 43.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.63 -49.42 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 41' ' ' GLU . 23.7 m-85 -41.59 -42.23 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.502 ' C ' ' H ' ' A' ' 47' ' ' ALA . 30.9 mt-30 -59.47 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' C ' HG13 ' A' ' 50' ' ' VAL . 1.1 tp10 -58.45 -1.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -93.92 -50.87 5.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 138' ' ' MET . 3.8 m-85 -117.96 -33.64 4.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 3.7 m-85 -69.02 -0.11 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.763 HG23 ' H ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -64.83 -72.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.113 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.763 ' H ' HG23 ' A' ' 50' ' ' VAL . 66.5 mmtt -153.37 143.43 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.02 -26.03 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -102.89 -37.25 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.479 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 5.2 t70 -80.93 12.69 3.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -57.5 108.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 33.8 mtmt -109.47 176.57 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.777 HD22 ' HA ' ' A' ' 138' ' ' MET . 13.8 mt -111.94 163.56 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.948 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 59' ' ' ALA . 15.0 tp -107.97 154.53 21.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.635 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -136.24 105.88 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' A' ' 137' ' ' ILE . 41.6 mm -69.06 136.82 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.502 ' CE2' HD11 ' A' ' 78' ' ' LEU . 40.3 t80 -133.55 102.35 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 107' ' ' PHE . 96.5 mt -84.01 116.81 23.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -92.58 134.61 34.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 2.8 t-80 -139.39 110.09 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 10.4 t70 -62.84 -60.06 4.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.495 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 51.3 mm-40 -34.39 -45.77 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 t -52.45 140.09 23.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 m -84.92 -34.31 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 70' ' ' THR . 14.1 mt -65.62 -48.54 71.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 69' ' ' LEU . 88.7 m -32.05 -40.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.1 m-20 -50.94 -65.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' GLN . 33.8 m -72.14 -38.93 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 5.5 t80 -43.61 -56.41 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 28' ' ' TYR . 25.2 p -77.47 -43.34 32.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.403 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 9.1 t -62.44 -17.8 60.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' VAL . 36.3 mm-40 -109.45 -37.86 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.405 ' SD ' HD11 ' A' ' 159' ' ' LEU . 35.0 mtt -94.02 -70.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.502 HD11 ' CE2' ' A' ' 61' ' ' TYR . 15.0 mt -50.03 -24.87 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.3 m -78.12 -30.1 49.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 84' ' ' VAL . . . -59.47 125.46 23.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 84' ' ' VAL . 36.1 mt-10 -69.81 -58.14 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.473 ' O ' ' HE1' ' A' ' 160' ' ' MET . 4.6 m -45.38 -23.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.451 HG13 ' CG2' ' A' ' 156' ' ' VAL . 28.7 mm -85.43 -65.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 81' ' ' GLU . 14.0 m -53.14 -24.67 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.6 p -71.48 -56.1 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.657 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 53.2 t80 -68.7 -47.04 67.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.93 -33.58 72.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 35.7 t -84.7 -38.22 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -76.49 -61.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.657 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 2.5 m-80 -69.11 -47.43 65.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 167' ' ' MET . 3.2 m-85 -106.59 175.41 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.8 mm -109.11 114.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.434 HG22 ' CD1' ' A' ' 35' ' ' PHE . 62.0 m -71.31 126.71 30.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 76.1 t90 -146.66 112.28 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.47 157.69 17.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -147.42 125.05 11.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -83.8 105.35 14.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -113.01 10.05 18.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.4 m -54.91 -51.15 66.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 101' ' ' ASP . 31.3 mtmt -65.74 127.81 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -36.57 -61.01 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 61.4 m -40.61 -55.49 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -61.79 -49.56 75.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -43.7 -50.86 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.17 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -50.6 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 62' ' ' LEU . 66.9 t80 -51.97 -41.86 62.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.409 ' HA ' ' SG ' ' A' ' 111' ' ' CYS . 16.4 mt -71.55 -18.71 62.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.8 m -89.06 -40.39 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.28 -30.46 54.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 108' ' ' LEU . 19.9 p -59.75 -30.8 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -60.77 -39.06 87.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 114' ' ' HIS . 37.9 mtm180 -94.85 -66.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 113' ' ' ARG . 20.0 m170 -33.13 -65.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -92.83 -63.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.79 -169.95 34.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 55.5 m -85.55 -48.86 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.9 t -41.66 -65.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 120' ' ' ALA . 11.3 m -57.2 -40.15 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 123' ' ' ILE . . . -53.6 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 120' ' ' ALA . 52.2 tt0 -34.89 -55.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.4 m -53.76 -40.49 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 120' ' ' ALA . 39.4 mm -62.79 -24.61 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -82.44 -29.5 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.7 p -92.24 15.91 12.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.562 ' OE1' HD21 ' A' ' 133' ' ' LEU . 28.1 mm-40 -86.86 129.09 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -81.83 162.3 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.1 m -59.52 -55.97 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -48.81 -48.99 41.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -41.4 -48.69 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.517 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 33.5 m-85 -52.19 157.75 2.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.67 0.748 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.9 Cg_endo -69.76 -178.03 15.84 Favored 'Cis proline' 0 C--O 1.232 0.215 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.339 -0.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.562 HD21 ' OE1' ' A' ' 126' ' ' GLN . 46.1 mt -130.86 104.92 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.635 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 7.5 t80 -95.65 118.11 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.631 HD23 HG11 ' A' ' 146' ' ' VAL . 5.6 mp -117.79 146.21 43.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 95.2 mt -100.88 112.46 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.467 ' CG1' HG12 ' A' ' 60' ' ' ILE . 10.8 mm -92.17 135.46 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.777 ' HA ' HD22 ' A' ' 57' ' ' LEU . 5.0 ttp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -151.08 146.63 26.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.631 HG11 HD23 ' A' ' 135' ' ' LEU . 4.3 m -89.8 127.2 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 138' ' ' MET . 64.1 mt -82.13 -32.2 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -150.54 152.06 33.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 86.1 t -121.54 122.15 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.403 HG21 HG21 ' A' ' 154' ' ' THR . 22.5 mt -111.05 138.99 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -88.3 177.56 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 73' ' ' PHE . . . -77.74 -21.92 70.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 153' ' ' ASN . 24.5 t-20 -82.61 16.43 2.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 159' ' ' LEU . 6.4 t -80.54 160.7 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.8 p -91.4 133.35 35.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 157' ' ' ASP . 7.8 p -40.77 -48.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.543 ' N ' HG13 ' A' ' 156' ' ' VAL . 1.3 m-20 -54.69 -54.25 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -41.88 -44.84 3.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 154' ' ' THR . 54.4 mt -52.75 -62.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.473 ' HE1' ' O ' ' A' ' 82' ' ' SER . 34.5 tpp -42.18 -43.17 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 8.9 mtt -69.41 -61.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -46.01 -37.86 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 32.6 mt -71.1 -68.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 165' ' ' ALA . 5.0 ptp -43.81 -34.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.566 ' O ' HD12 ' A' ' 169' ' ' ILE . . . -58.8 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.47 -40.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 91' ' ' PHE . 12.5 mmm -70.3 -50.08 43.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 165' ' ' ALA . 5.1 mt-10 -57.43 -43.93 84.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 165' ' ' ALA . 5.1 mp -72.68 -49.21 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -38.61 -63.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 -179.899 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 39' ' ' SER . 44.6 mt-10 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -37.13 -66.4 0.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.37 -44.72 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.65 62.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' LEU . 96.1 mt -57.43 -56.38 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.8 mt -34.27 -44.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -64.19 -50.27 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.8 t80 -67.66 -58.57 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.429 HG23 ' CD2' ' A' ' 35' ' ' PHE . 19.3 m -48.35 -51.69 25.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.18 -54.21 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' PHE . 23.9 mt-10 -67.42 -62.52 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 t80 -37.26 -40.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -62.46 -52.84 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -72.96 -58.8 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -39.19 -37.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD2' ' HD2' ' A' ' 27' ' ' ARG . 22.4 m-85 -94.43 -64.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 164.58 153.47 7.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -46.51 -39.46 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.846 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.2 m -63.81 105.17 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 34.0 p80 -167.75 152.08 6.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HG3' HD22 ' A' ' 78' ' ' LEU . 53.4 Cg_endo -69.79 140.69 43.19 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.4 p -59.67 117.72 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.429 ' CD2' HG23 ' A' ' 21' ' ' THR . 94.0 m-85 -92.76 134.17 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -78.32 120.74 23.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.95 114.5 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.09 -154.01 25.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 13' ' ' GLU . 20.0 m -101.29 160.47 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 37.0 tp -53.65 -45.41 70.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 38.1 mt-10 -53.14 -47.93 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.55 -52.23 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -40.9 -44.31 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 41' ' ' GLU . 24.9 m-85 -47.68 -40.85 21.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 3.6 mm-40 -64.01 -31.42 72.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.609 ' HA ' HG13 ' A' ' 50' ' ' VAL . 6.7 tp10 -107.76 9.22 29.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -98.0 -66.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -110.3 -37.74 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 3.0 m-85 -51.13 -30.44 16.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' ' 46' ' ' GLU . 19.7 m -55.46 174.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -58.72 171.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.48 -37.38 71.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -76.17 -31.82 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.51 9.81 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -53.3 146.22 12.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -151.54 173.28 14.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 55.1 mt -112.4 161.57 16.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 tp -106.82 129.27 54.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.22 111.38 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.445 ' CD1' HG13 ' A' ' 137' ' ' ILE . 5.2 mp -77.3 133.98 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -118.71 106.08 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.725 HD22 HD22 ' A' ' 98' ' ' LEU . 64.1 mt -83.28 122.18 28.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -102.51 126.18 49.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 13.9 t-80 -130.74 114.93 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.1 t70 -61.99 -61.33 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 76.0 mt-10 -35.26 -46.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -61.01 143.85 54.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -88.39 -38.89 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 71' ' ' ASN . 12.6 mt -49.64 -47.09 50.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 69' ' ' LEU . 54.1 m -32.92 -33.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 69' ' ' LEU . 26.4 t-20 -72.14 -65.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.564 HG23 ' N ' ' A' ' 73' ' ' PHE . 32.9 m -61.78 -47.83 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' N ' HG23 ' A' ' 72' ' ' VAL . 3.2 t80 -40.46 -53.63 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.422 ' HB3' HD12 ' A' ' 78' ' ' LEU . 27.4 p -78.13 -48.99 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 4.9 m -60.81 -13.58 16.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 72' ' ' VAL . 78.2 mm-40 -110.55 -39.28 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.52 ' HA ' HG22 ' A' ' 156' ' ' VAL . 30.8 mtt -97.89 -58.37 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.422 HD12 ' HB3' ' A' ' 74' ' ' CYS . 90.8 mt -74.37 12.45 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.486 ' HB3' ' C ' ' A' ' 75' ' ' SER . 1.8 p -97.93 -26.81 14.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.528 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -77.27 131.1 38.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 pm0 -66.78 -29.44 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 81' ' ' GLU . 40.2 m -69.67 -49.22 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.459 HG13 HG13 ' A' ' 156' ' ' VAL . 50.6 mm -63.42 -48.3 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 80' ' ' ALA . 35.6 m -63.0 -40.25 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 84' ' ' VAL . 5.7 m -69.57 -48.98 58.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.614 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 2.0 t80 -64.73 -44.58 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' PHE . 11.0 tp -63.73 -41.51 98.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 p -73.4 -38.44 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -75.05 -61.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.614 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 10.3 m120 -65.98 -48.67 70.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 1.9 m-85 -108.68 175.13 5.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.1 mm -104.27 116.39 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.6 m -77.16 109.58 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.513 ' CH2' ' HB2' ' A' ' 40' ' ' LEU . 58.5 t90 -141.21 111.67 6.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.83 167.16 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -151.76 104.71 3.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.09 104.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.725 HD22 HD22 ' A' ' 62' ' ' LEU . 1.7 pt? -110.41 17.79 20.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.3 m -47.0 -48.02 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.6 151.97 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 102' ' ' SER . 40.3 m-20 -58.67 -58.06 10.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 101' ' ' ASP . 23.4 t -36.59 -53.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -71.17 -41.92 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -46.01 -55.19 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.15 75.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' A' ' 110' ' ' MET . 12.1 ttm180 -50.49 -41.13 52.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -69.43 -44.26 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.39 -50.61 72.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.9 m -61.07 -65.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.408 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 3.8 ppp? -46.4 -37.85 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.7 m -65.12 -60.49 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.431 ' HA ' ' C ' ' A' ' 116' ' ' GLY . 3.0 t30 -42.23 -29.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -74.31 -49.93 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -77.51 -65.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -75.98 -68.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.431 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 148.96 160.98 9.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.7 t -58.61 -44.69 89.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 31.4 m -44.91 -32.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.8 t -81.12 -45.59 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.05 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 122' ' ' THR . 6.1 tm0? -48.0 -51.03 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.48 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 36.9 m -45.74 -53.49 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.45 -43.85 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -57.6 -33.07 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.7 p -81.61 15.16 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -106.62 159.38 16.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -85.74 169.81 13.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 21.6 m -68.45 -55.42 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.3 OUTLIER -48.09 -47.8 34.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.827 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 129' ' ' ASP . 24.5 mt-30 -33.82 -44.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.516 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 14.0 m-85 -54.75 157.05 5.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 54.0 Cg_endo -69.76 177.97 27.04 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.35 0.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 151' ' ' GLN . 14.9 mt -128.01 110.42 12.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -95.69 119.37 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 135' ' ' LEU . 2.7 mp -125.48 133.06 52.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 37.2 mt -93.28 107.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.613 ' CD1' HG22 ' A' ' 146' ' ' VAL . 21.0 mm -102.73 102.03 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 21.3 ttp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.796 0.331 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -163.23 171.59 16.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.613 HG22 ' CD1' ' A' ' 137' ' ' ILE . 96.9 t -106.1 133.61 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 33.4 mt -97.91 -67.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ASN . . . . . 0.436 HD21 ' HA ' ' A' ' 148' ' ' ASN . 1.9 m120 -118.35 149.75 40.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 85.4 t -132.26 110.34 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 41.3 mt -96.67 117.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.448 ' O ' HD23 ' A' ' 133' ' ' LEU . 24.0 mt-30 -49.63 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 163.1 -22.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -80.86 13.95 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.7 t -67.09 176.73 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 76.4 p -123.28 149.21 45.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 77' ' ' MET . 60.8 t -40.31 -50.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -51.04 -42.71 60.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -61.46 -39.86 92.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.405 HD11 ' SD ' ' A' ' 77' ' ' MET . 88.2 mt -60.0 -48.04 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 160' ' ' MET . 6.2 mmt -47.54 -62.04 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -44.18 92.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -50.31 -45.22 54.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 35.6 mt -75.18 -45.86 37.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 8.5 mmt -51.61 -57.72 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -47.5 -54.56 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -54.12 -60.52 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -46.05 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.02 -61.03 2.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 90.8 mt -39.79 -47.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 170' ' ' PHE . 5.4 t80 -44.64 -60.58 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.05 -63.16 4.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.599 ' HA ' HD12 ' A' ' 18' ' ' LEU . 52.3 m-20 -62.3 -47.1 85.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.55 -48.79 48.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' LEU . 30.2 mt -61.63 -54.21 45.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 15' ' ' ASP . 11.1 mt -33.56 -45.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.3 -56.06 17.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -54.23 -50.75 66.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 p -58.37 -45.45 88.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.53 -57.43 11.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 24' ' ' PHE . 14.2 pt-20 -56.18 -42.88 77.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 t80 -58.3 -44.48 88.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 29' ' ' GLY . 12.8 t -48.27 -64.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -66.13 -49.3 67.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -39.62 -58.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -90.71 -64.34 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -175.15 147.63 9.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -51.17 -45.1 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.1 m -62.71 114.58 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -167.54 154.54 7.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HG3' HD22 ' A' ' 78' ' ' LEU . 53.7 Cg_endo -69.75 132.1 22.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.5 p -56.17 120.83 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -95.64 122.29 38.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.12 117.41 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.7 109.26 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.05 -146.09 12.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -117.45 143.44 46.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.627 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 20.9 tp -43.71 -41.54 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -46.41 -53.33 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.94 88.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.31 -45.3 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -53.43 -40.16 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -68.56 -54.72 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' C ' ' HB ' ' A' ' 50' ' ' VAL . 15.7 tp10 -64.87 -3.68 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.93 -61.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 50' ' ' VAL . 34.7 m-85 -98.03 -49.44 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -76.57 17.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 51' ' ' LYS . 12.8 p -78.76 -45.48 25.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.519 ' N ' HG13 ' A' ' 50' ' ' VAL . 46.6 mmtt -149.29 178.0 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.37 -34.07 12.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -115.5 -24.44 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 51' ' ' LYS . 2.1 m-20 -89.14 17.98 5.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 29.2 mtt180 -52.09 111.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 24.5 mtmm -95.66 178.73 5.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.681 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 25.0 mt -111.92 150.59 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.7 tp -104.91 152.78 22.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.7 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -148.18 118.17 7.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.18 141.43 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 132' ' ' PRO . 46.0 t80 -131.5 105.06 7.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.514 ' HB3' HD22 ' A' ' 98' ' ' LEU . 35.9 mt -85.74 113.14 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -87.27 135.78 33.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -140.18 123.56 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' GLU . 6.7 t0 -72.39 -61.33 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' ASP . 52.5 mt-10 -33.7 -45.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 t -52.96 156.11 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.1 m -103.7 -27.33 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 12.7 mt -74.79 -17.66 60.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' VAL . 39.9 m -75.92 -65.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 70' ' ' THR . 0.5 OUTLIER -34.31 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 73' ' ' PHE . 34.5 m -96.01 -44.23 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 18.1 t80 -65.6 -10.91 39.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 32.0 p -93.28 -38.16 11.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 m -98.01 -15.36 20.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.3 mm-40 -98.56 -57.58 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.572 ' SD ' HG22 ' A' ' 156' ' ' VAL . 0.0 OUTLIER -79.67 -71.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.544 HD22 ' HG3' ' A' ' 33' ' ' PRO . 11.1 mt -41.57 -24.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -82.51 17.98 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -78.76 102.17 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.92 -36.72 49.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -70.17 -40.35 74.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 55.8 mt -73.76 -67.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ILE . 17.4 m -36.93 -30.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' ILE . 28.5 t -79.59 -54.8 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 t80 -71.21 -56.18 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' PHE . 17.1 tp -43.96 -32.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.0 m -92.49 -44.6 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -65.92 -60.04 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 5.2 m-80 -76.38 -46.92 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.4 m-85 -104.6 170.55 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -103.66 113.42 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.2 m -80.06 127.83 32.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.627 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 72.9 t90 -150.59 114.84 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.07 159.7 16.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -149.75 123.25 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.66 104.24 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pt? -111.59 14.62 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' LEU . 54.5 m -37.34 -68.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -63.54 158.42 21.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -65.16 -50.49 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.2 m -39.22 -41.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -78.89 -55.2 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -39.8 -52.06 2.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -53.39 -57.27 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' ALA . 25.8 mtt-85 -37.74 -59.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.446 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 90.9 t80 -46.43 -50.08 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.26 -43.53 87.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -62.8 -59.94 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.462 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 8.1 ptp -56.58 -37.19 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 110' ' ' MET . 34.3 m -65.84 -48.69 70.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -43.06 -35.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -91.11 -60.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -48.07 -62.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -90.92 -65.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 155.42 176.2 27.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.5 m -76.97 -30.2 55.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.798 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.61 -58.76 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 120' ' ' ALA . 5.0 m -56.18 -40.27 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.423 ' N ' HG23 ' A' ' 119' ' ' VAL . . . -51.71 -60.06 3.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' ALA . 14.3 tm0? -37.7 -59.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.9 m -48.68 -45.12 38.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.0 mm -56.94 -37.48 54.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -64.29 -46.36 83.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 71.9 p -66.49 -41.72 88.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.577 ' HB3' HD11 ' A' ' 133' ' ' LEU . 47.0 mm-40 -52.75 104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -64.54 172.95 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 129' ' ' ASP . 49.2 m -58.63 -59.37 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.7 OUTLIER -35.55 -54.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' ASP . 30.7 mm-40 -37.23 -45.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 39.1 m-85 -54.85 155.81 7.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.587 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 53.9 Cg_endo -69.8 135.08 32.11 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.347 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 126' ' ' GLN . 20.6 mt -87.81 102.7 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.7 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -95.84 119.06 33.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 135' ' ' LEU . 4.0 mp -121.0 136.91 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 79.9 mt -98.8 119.36 46.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.437 ' CD1' HG22 ' A' ' 146' ' ' VAL . 42.1 mm -97.79 140.59 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.405 ' HB3' ' CD1' ' A' ' 147' ' ' LEU . 5.3 ttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -154.91 157.07 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 137' ' ' ILE . 48.4 t -88.08 111.85 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 138' ' ' MET . 78.6 mt -76.27 -60.37 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -116.81 152.99 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 99.1 t -131.69 110.65 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.3 mt -100.08 120.38 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.1 -61.79 2.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 151.72 -20.02 0.89 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -82.07 14.04 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 13.8 t -80.35 168.12 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.8 p -89.96 144.56 25.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.572 HG22 ' SD ' ' A' ' 77' ' ' MET . 65.6 t -43.02 -51.93 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -49.56 -55.17 14.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -42.93 -52.6 5.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 156' ' ' VAL . 13.6 mt -51.77 -51.21 58.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.4 ' HA ' ' HE3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -51.68 -48.55 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 30.0 mtp -63.91 -54.06 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -40.27 -58.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 85.9 mt -49.31 -56.55 9.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.3 mmm -53.69 -41.77 67.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 168' ' ' GLU . . . -59.66 -39.55 84.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.9 81.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 168' ' ' GLU . 6.0 mmm -69.66 -67.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 10.9 pt-20 -37.56 -42.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.477 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 91.6 mt -68.67 -46.36 79.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -48.86 -54.93 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' GLY . 35.0 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.924 0.393 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.4 -59.04 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -45.2 95.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.88 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LEU . 99.1 mt -60.15 -57.82 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' HD12 ' A' ' 37' ' ' ILE . 12.0 mt -33.84 -56.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -51.81 -50.3 61.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.68 -57.14 13.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.6 p -50.57 -42.59 55.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.178 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.93 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' PHE . 17.9 mm-40 -59.02 -61.14 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' GLU . 11.7 t80 -36.09 -58.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -39.8 -50.77 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -71.95 -43.54 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -41.16 -57.24 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.422 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 23.1 m-85 -97.85 -63.34 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.92 151.79 10.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.555 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -50.01 -43.47 50.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.02 107.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -167.11 156.01 9.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.6 Cg_endo -69.72 129.29 17.37 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.8 t -53.55 102.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.455 ' CD1' HG22 ' A' ' 93' ' ' THR . 54.6 m-85 -78.11 130.73 36.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -70.44 129.2 38.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.459 HD12 ' HG ' ' A' ' 18' ' ' LEU . 23.5 mm -91.63 116.5 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.83 -148.58 19.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.3 m -110.48 148.72 31.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 10.0 tp -43.62 -44.54 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -43.85 -51.48 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.03 -18.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 58' ' ' LEU . 15.5 m-85 -87.84 -51.71 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.524 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.23 -41.31 94.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 45' ' ' GLN . 17.2 tp10 -61.58 -7.6 3.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.426 ' C ' HG22 ' A' ' 50' ' ' VAL . . . -117.5 -37.97 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 138' ' ' MET . 1.7 m-85 -97.6 -64.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 4.8 m-85 -43.29 -37.51 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.791 HG23 ' H ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -33.76 -76.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.791 ' H ' HG23 ' A' ' 50' ' ' VAL . 1.5 mmmp? -157.18 133.54 9.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.424 ' O ' ' NE ' ' A' ' 55' ' ' ARG . . . -50.65 -20.52 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -98.28 -46.72 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.08 17.9 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 52' ' ' ALA . 13.1 mtm180 -53.54 141.23 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -128.02 175.86 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.896 HD22 ' HA ' ' A' ' 138' ' ' MET . 28.9 mt -117.23 146.2 43.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 44' ' ' PHE . 17.2 tp -104.41 146.87 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.604 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -136.14 105.62 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.454 ' H ' HD12 ' A' ' 60' ' ' ILE . 5.0 mp -70.25 119.53 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.506 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 11.5 t80 -104.13 106.66 17.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.567 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 44.2 mt -84.53 119.82 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -99.31 113.17 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 4.9 t-80 -124.27 116.17 22.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' GLU . 6.0 t70 -63.17 -56.84 13.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 25.8 mt-10 -34.49 -39.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.2 t -61.46 150.7 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -92.33 -36.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 129' ' ' ASP . 25.2 mt -63.57 -46.58 85.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.478 ' CA ' ' HD3' ' A' ' 132' ' ' PRO . 34.1 m -46.36 -29.2 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -61.48 -65.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' GLN . 10.6 m -69.76 -46.31 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 4.6 t80 -54.31 -14.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 34.6 t -83.42 -48.51 10.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.426 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 97.5 p -97.37 -1.98 43.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' VAL . 54.9 mm-40 -105.3 -51.29 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.549 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -91.41 -68.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 14.7 mt -44.0 -40.41 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.1 m -64.89 -32.16 73.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -52.06 113.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.612 ' HA ' HG22 ' A' ' 84' ' ' VAL . 3.9 mm-40 -63.86 -40.2 96.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m -52.63 -26.75 14.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 85' ' ' SER . 49.2 mm -90.53 -67.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' ' 81' ' ' GLU . 32.9 m -45.61 -20.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 83' ' ' ILE . 14.6 m -75.34 -59.35 2.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 13.8 t80 -70.9 -44.47 66.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' PHE . 17.5 tp -57.16 -35.17 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.0 t -86.8 -42.8 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -69.92 -61.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.563 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 10.6 m120 -72.24 -48.93 39.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 2.8 m-85 -104.42 175.59 5.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.4 HG13 ' HB2' ' A' ' 47' ' ' ALA . 13.2 mm -109.81 109.23 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.598 HG21 ' HB2' ' A' ' 33' ' ' PRO . 48.3 m -71.19 131.9 44.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.505 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 4.8 t90 -148.0 126.43 12.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -115.17 143.35 45.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -143.3 102.79 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -66.86 109.05 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -116.08 16.62 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.0 m -47.38 -45.33 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -82.2 132.4 35.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -42.46 -44.09 3.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.5 m -40.63 -57.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -71.42 -45.15 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.96 -55.3 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.15 -53.18 56.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -46.91 -48.36 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 48.1 t80 -59.5 -36.11 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.671 ' CD2' ' HB1' ' A' ' 120' ' ' ALA . 28.8 mt -74.35 -35.06 63.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.3 m -67.64 -50.16 59.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 23.0 ptp -65.74 -43.27 89.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.679 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -66.42 -39.05 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 112' ' ' ASN . 0.3 OUTLIER -55.01 -33.36 62.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -94.39 -65.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -39.43 -67.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.562 ' CE1' HG12 ' A' ' 137' ' ' ILE . 26.5 m-85 -88.02 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.31 169.34 25.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.7 m -69.27 -52.28 29.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.0 t -42.31 -58.28 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.9 t -47.76 -65.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.679 ' HB2' ' SG ' ' A' ' 111' ' ' CYS . . . -47.71 -44.35 27.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -54.15 -44.46 71.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.2 m -50.12 -43.86 51.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.534 HG23 HD12 ' A' ' 133' ' ' LEU . 49.6 mt -70.62 -30.38 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.9 ttt-85 -71.39 -50.75 28.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.1 t -69.55 -24.62 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.424 ' CD ' ' HG3' ' A' ' 130' ' ' GLN . 6.7 mm100 -62.84 157.59 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -87.01 145.42 26.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 91.3 m -49.95 -38.7 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -51.04 -49.46 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 29.9 mm-40 -36.66 -46.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 61.5 m-85 -52.48 154.77 4.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.2 Cg_endo -69.67 132.1 21.14 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.349 -0.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 123' ' ' ILE . 12.8 mt -89.19 102.14 14.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.604 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.0 t80 -94.98 116.14 28.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 135' ' ' LEU . 4.7 mp -115.03 162.76 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.448 ' C ' HD12 ' A' ' 137' ' ' ILE . 38.8 mt -130.2 142.53 43.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 145' ' ' GLU . 4.7 mp -134.88 138.27 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.896 ' HA ' HD22 ' A' ' 57' ' ' LEU . 2.7 tmm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.478 ' HB3' HG21 ' A' ' 137' ' ' ILE . 24.9 m-80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.801 0.334 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 137' ' ' ILE . 15.9 pt-20 -140.37 158.56 43.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.3 t -90.57 136.76 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.86 -66.72 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' A' ' 136' ' ' ILE . 38.9 m-20 -122.16 144.48 48.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.0 108.89 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.532 HG21 HG21 ' A' ' 154' ' ' THR . 47.0 mt -103.51 125.05 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 132' ' ' PRO . 24.9 mp0 -54.72 -63.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 152.92 -23.36 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -81.25 10.61 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.532 HG21 HG21 ' A' ' 150' ' ' ILE . 12.9 t -70.99 165.67 22.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 156' ' ' VAL . 76.4 p -88.04 133.9 33.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 157' ' ' ASP . 10.9 p -36.17 -42.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.477 ' N ' HG13 ' A' ' 156' ' ' VAL . 9.4 t0 -60.34 -52.43 65.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -43.41 -40.19 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.3 mt -58.96 -45.33 90.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.78 -58.71 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.4 ptm -64.5 -49.75 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -43.72 -47.74 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.46 -48.98 79.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.9 mtm -51.65 -53.85 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -44.1 -54.32 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -48.09 -42.8 29.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 11.8 mtp -60.83 -57.38 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -54.74 -48.68 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.24 -36.01 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -63.97 -61.24 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.195 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.924 0.392 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.31 -50.49 40.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.57 -47.93 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.89 88.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.19 -35.57 79.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.08 -39.69 82.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -73.09 -46.54 50.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -61.59 -40.97 96.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 p -66.38 -60.36 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.34 -50.84 28.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.16 -53.76 44.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CE1' ' CD1' ' A' ' 28' ' ' TYR . 63.6 t80 -45.72 -64.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 t -53.22 -42.95 66.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -51.88 -32.65 33.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 2.8 ttm180 -95.9 -63.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 24' ' ' PHE . 29.0 m-85 -56.44 -61.49 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.31 166.94 21.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.44 -49.18 72.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.9 m -52.34 111.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -167.25 153.63 7.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.608 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.4 Cg_endo -69.75 126.69 13.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.9 t -53.16 102.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -74.62 134.35 42.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -74.15 110.66 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.6 mm -70.27 102.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.97 -173.02 44.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.3 t -89.71 151.33 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.969 0.414 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.525 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 54.2 tp -43.61 -33.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 41' ' ' GLU . 4.8 tp10 -76.42 -44.9 33.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.06 -36.73 75.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.45 82.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CE1' HD23 ' A' ' 58' ' ' LEU . 16.8 m-85 -47.71 -37.15 12.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.467 ' HG2' ' CG ' ' A' ' 49' ' ' TYR . 48.0 mt-30 -57.18 -60.52 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.01 -17.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.47 -57.25 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -97.0 -67.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.467 ' CG ' ' HG2' ' A' ' 45' ' ' GLN . 23.0 m-85 -37.94 -32.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.513 HG22 ' H ' ' A' ' 51' ' ' LYS . 4.5 p -51.94 167.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.17 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.513 ' H ' HG22 ' A' ' 50' ' ' VAL . 50.0 mmtt -53.3 163.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.428 ' HA ' ' NH1' ' A' ' 55' ' ' ARG . . . -65.16 -43.21 92.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -75.7 -39.75 56.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -79.53 12.27 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 59.6 mtm-85 -55.06 148.73 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -153.82 171.65 18.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.647 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 90.7 mt -113.38 153.0 29.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.462 HD23 ' CE1' ' A' ' 44' ' ' PHE . 31.0 tp -104.54 123.09 46.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.537 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -114.57 105.73 13.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.722 HG12 HD13 ' A' ' 137' ' ' ILE . 32.4 mm -70.12 139.17 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.501 ' CE2' HD11 ' A' ' 78' ' ' LEU . 1.8 t80 -134.66 115.74 14.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 107' ' ' PHE . 74.6 mt -93.15 118.59 31.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -100.58 132.19 46.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.427 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 12.3 t-80 -136.64 108.2 6.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.2 m-20 -53.32 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' ASP . 26.2 mt-10 -34.72 -41.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -58.08 147.97 27.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.46 -25.46 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.8 mt -70.38 -23.81 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.508 HG23 ' HD3' ' A' ' 132' ' ' PRO . 0.6 OUTLIER -62.34 -35.1 78.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.12 -48.08 71.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.591 HG23 ' N ' ' A' ' 73' ' ' PHE . 20.5 m -91.09 -53.34 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 1.7 t80 -43.05 -30.98 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.449 ' CB ' HD12 ' A' ' 78' ' ' LEU . 52.1 m -96.43 -14.42 22.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 72' ' ' VAL . 36.7 t -95.91 -18.65 20.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.806 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -110.0 -42.13 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.628 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 17.0 mtt -84.58 -61.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.501 HD11 ' CE2' ' A' ' 61' ' ' TYR . 34.9 mt -65.6 -42.01 92.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.464 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.6 m -81.31 17.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -91.99 110.61 21.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.52 -28.85 65.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 p -74.57 -51.62 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.4 mm -59.73 -59.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 85' ' ' SER . 15.4 m -49.96 -42.21 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 84' ' ' VAL . 4.4 m -54.6 -43.14 71.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.631 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 14.1 t80 -89.22 -65.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 91' ' ' PHE . 11.1 tp -35.83 -40.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -79.19 -48.77 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.59 -61.44 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.631 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 9.0 m-80 -72.82 -61.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.647 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.4 m-85 -91.31 178.58 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mm -110.18 130.62 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.608 HG21 ' HB2' ' A' ' 33' ' ' PRO . 59.2 m -83.19 125.62 31.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.525 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 10.0 t90 -150.34 111.77 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB2' ' HD2' ' A' ' 61' ' ' TYR . . . -113.14 158.9 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.452 ' O ' HD12 ' A' ' 98' ' ' LEU . 67.8 t-105 -151.17 119.06 6.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -78.41 131.33 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.462 HD21 HD22 ' A' ' 62' ' ' LEU . 4.6 mp -118.07 8.31 12.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.1 m -50.59 -43.31 56.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -82.09 126.26 31.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.43 -55.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 m -42.46 -45.01 4.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 104' ' ' ARG . 10.2 m120 -60.94 -56.31 22.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 103' ' ' ASN . 13.0 mtp180 -34.34 -62.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.62 -50.22 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -40.17 -67.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 62' ' ' LEU . 20.2 t80 -52.2 -51.79 56.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -43.06 -57.59 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 98.6 m -52.16 -47.68 65.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 18.1 mtm -56.87 -48.33 78.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.0 t -63.27 -45.31 92.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -49.49 -37.21 25.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -89.27 -66.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -40.98 -63.36 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 137' ' ' ILE . 17.1 m-85 -92.51 -66.21 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.4 155.59 8.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.9 t -61.11 -47.63 85.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.3 t -47.45 -52.28 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.6 -60.6 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB2' ' SG ' ' A' ' 111' ' ' CYS . . . -41.22 -57.42 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.494 ' O ' HG22 ' A' ' 125' ' ' THR . 14.0 tm0? -47.13 -46.2 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.8 m -45.81 -29.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.693 HD13 HD11 ' A' ' 62' ' ' LEU . 81.0 mt -87.72 -39.66 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -62.47 -42.04 99.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 121' ' ' GLN . 5.6 t -68.13 -29.73 68.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -58.95 151.51 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -77.07 176.64 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 129' ' ' ASP . 84.8 m -76.44 -62.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 128' ' ' THR . 2.4 p-10 -37.32 -49.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.407 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 51.0 mm-40 -38.42 -45.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.505 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 12.0 m-85 -52.06 158.75 1.67 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.508 ' HD3' HG23 ' A' ' 70' ' ' THR . 54.2 Cg_endo -69.79 -178.46 16.82 Favored 'Cis proline' 0 C--O 1.232 0.216 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.375 0.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.414 ' CD1' HG23 ' A' ' 123' ' ' ILE . 36.1 mt -132.7 120.26 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.537 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -112.89 112.68 24.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 135' ' ' LEU . 3.3 mp -109.17 162.84 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 43.9 mt -129.91 108.89 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.722 HD13 HG12 ' A' ' 60' ' ' ILE . 3.3 mp -96.02 126.25 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.488 ' HE2' ' HA ' ' A' ' 170' ' ' PHE . 4.0 tmm? . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -163.48 157.1 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.49 122.17 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.9 mp -85.91 -56.39 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -111.43 146.24 37.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 94.8 t -131.56 113.81 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 47.1 mt -102.36 138.73 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 132' ' ' PRO . 36.5 mt-30 -74.96 -56.84 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 149.93 -21.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -81.52 13.22 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 11.6 t -74.36 172.96 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 42.4 p -105.51 139.12 40.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.8 p -40.91 -34.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.49 -47.19 76.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -49.23 -43.84 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.486 HD11 ' SD ' ' A' ' 77' ' ' MET . 77.3 mt -47.27 -58.86 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 42.5 tpp -43.89 -48.14 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 17.8 mtt -63.93 -44.01 94.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -56.75 -41.18 77.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.83 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 59.0 mtp -46.07 -47.27 17.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.17 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.0 75.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 14.6 mtp -70.45 -58.44 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 6.9 pt-20 -50.28 -34.53 23.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 59.8 mt -74.69 -49.65 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.488 ' HA ' ' HE2' ' A' ' 138' ' ' MET . 88.5 t80 -41.6 -63.57 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.35 -62.12 6.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.76 -44.38 77.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.62 -45.9 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' PHE . 49.1 mt -67.85 -58.71 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.639 ' HG ' HD12 ' A' ' 37' ' ' ILE . 5.5 mt -34.31 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -64.48 -43.98 92.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.6 t80 -63.13 -43.72 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.9 p -67.27 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.12 -45.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -77.79 -42.92 32.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 28' ' ' TYR . 83.2 t80 -37.76 -39.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' GLY . 2.3 p -72.99 -61.34 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -42.09 -34.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 17.4 ptp180 -83.89 -49.47 8.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.486 ' CD2' ' CE1' ' A' ' 24' ' ' PHE . 31.4 m-85 -95.66 -67.68 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 172.47 152.68 8.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -51.86 -45.1 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.64 111.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -167.05 152.67 7.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.535 0.683 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 131.09 20.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -53.97 107.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -82.88 125.83 31.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -58.94 108.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.639 HD12 ' HG ' ' A' ' 18' ' ' LEU . 26.8 mm -73.36 103.17 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.98 -167.39 35.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 t -91.66 145.24 24.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.674 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 10.8 tp -45.79 -41.2 10.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -41.31 -50.84 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -68.01 -53.79 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.41 -24.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CE2' ' HG ' ' A' ' 40' ' ' LEU . 51.9 m-85 -74.34 -55.83 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.41 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 4.6 pt20 -63.81 -42.64 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HA ' HG13 ' A' ' 50' ' ' VAL . 7.3 tt0 -62.91 -6.36 3.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.512 ' O ' ' CG2' ' A' ' 50' ' ' VAL . . . -97.93 -60.99 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 56' ' ' LYS . 32.8 m-85 -96.85 -65.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' VAL . 30.4 m-85 -35.76 -38.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -32.15 -73.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HG2' ' C ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -156.47 132.8 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.445 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . . . -49.81 -15.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -97.87 -48.09 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -84.49 16.71 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 52' ' ' ALA . 36.2 mtt180 -55.79 102.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.548 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 65.7 mttm -94.08 179.02 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 138' ' ' MET . 69.8 mt -111.02 151.35 28.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.537 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 19.4 tp -104.84 140.43 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.678 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -140.43 109.15 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mp -76.37 131.68 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CE1' ' CE1' ' A' ' 73' ' ' PHE . 39.3 t80 -118.88 103.41 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD22 HD11 ' A' ' 98' ' ' LEU . 52.2 mt -79.63 117.58 20.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -97.81 116.61 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.588 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 12.8 t-80 -117.54 103.27 9.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.9 t0 -54.21 -59.39 4.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.53 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 27.3 mm-40 -34.01 -45.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.1 t -58.43 149.4 25.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.62 -22.3 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 12.7 mt -71.41 -21.18 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.428 HG23 ' HD3' ' A' ' 132' ' ' PRO . 0.7 OUTLIER -62.36 -50.29 72.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -43.11 -63.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 73' ' ' PHE . 19.2 m -70.11 -45.26 76.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 1.9 t80 -45.07 -52.03 9.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.529 ' CB ' HD12 ' A' ' 78' ' ' LEU . 28.2 p -78.0 -36.04 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.439 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 26.9 t -71.57 -15.69 62.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' VAL . 57.0 mm-40 -110.68 -37.91 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.694 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 29.6 mtt -91.72 -55.14 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.529 HD12 ' CB ' ' A' ' 74' ' ' CYS . 96.1 mt -76.94 16.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.3 m -112.27 -22.34 10.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.501 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -69.37 129.14 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 82' ' ' SER . 14.4 pt-20 -65.72 -45.28 83.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 71.9 m -64.72 -41.21 96.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.633 HD13 ' CE ' ' A' ' 160' ' ' MET . 26.4 mm -62.44 -51.09 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -65.89 -35.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -68.77 -46.99 67.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 4.2 t80 -72.23 -52.2 17.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.46 -31.37 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.5 p -85.82 -41.98 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.504 ' O ' ' CE ' ' A' ' 56' ' ' LYS . 13.3 mm-40 -75.42 -61.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.541 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 2.0 m-80 -66.61 -43.49 84.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 3.0 m-85 -114.1 171.69 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -101.12 114.94 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.2 m -73.75 125.83 28.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.674 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 32.0 t90 -151.69 103.61 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.44 150.83 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -142.76 136.7 29.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.89 125.47 41.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 62' ' ' LEU . 4.3 mp -115.27 3.29 14.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.9 m -42.82 -44.28 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -91.6 143.69 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -52.1 -58.91 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.3 m -37.29 -47.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -74.71 -47.44 31.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -53.24 -64.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.49 -47.61 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.4 mtp85 -48.76 -55.48 11.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -54.09 -46.23 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.09 -34.59 77.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.7 m -71.92 -49.48 37.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.2 ptm -70.99 -30.09 66.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 6.4 t -76.56 -45.46 30.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -49.45 -34.06 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' HIS . 57.3 mtt180 -94.73 -68.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' ARG . 1.5 m80 -37.85 -61.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -89.64 -60.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.49 164.91 14.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 97.2 p -70.39 -45.38 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.824 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.64 -44.8 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.36 -53.69 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 111' ' ' CYS . . . -57.93 -50.76 72.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -52.15 -45.84 65.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 88.8 m -53.03 -43.15 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 133' ' ' LEU . 94.1 mt -68.97 -36.88 76.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.65 96.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.9 p -66.43 -38.2 86.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -52.33 130.22 30.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -56.34 173.74 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 95.2 m -69.72 -60.47 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.3 OUTLIER -40.12 -47.67 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 129' ' ' ASP . 15.9 mm100 -33.81 -48.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 64' ' ' HIS . 17.2 m-85 -52.12 158.52 1.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.6 ' HG2' ' CE2' ' A' ' 73' ' ' PHE . 53.8 Cg_endo -69.71 167.69 70.0 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.366 0.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.598 ' CD1' HG23 ' A' ' 123' ' ' ILE . 12.8 mt -119.81 102.28 8.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.678 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 6.5 t80 -95.47 120.13 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.21 167.53 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.408 ' C ' HD12 ' A' ' 137' ' ' ILE . 68.3 mt -133.93 139.99 47.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 136' ' ' ILE . 4.7 mp -140.02 134.02 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.681 ' HA ' HD22 ' A' ' 57' ' ' LEU . 13.9 ptt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.405 ' CG ' HG21 ' A' ' 137' ' ' ILE . 28.9 t-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -145.13 147.92 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 74.6 t -80.39 117.07 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.542 HD21 ' SD ' ' A' ' 138' ' ' MET . 10.7 mp -78.09 -59.91 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -126.08 154.81 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 98.5 t -127.95 115.44 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 154' ' ' THR . 18.2 mt -100.94 117.91 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.62 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 158.77 -19.17 0.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -80.24 6.83 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.477 ' HB ' ' CG2' ' A' ' 150' ' ' ILE . 3.1 t -61.14 176.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 10.8 p -118.78 151.97 37.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 157' ' ' ASP . 10.6 p -48.04 -45.4 12.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.529 ' N ' HG13 ' A' ' 156' ' ' VAL . 24.0 m-20 -59.12 -45.76 90.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -51.11 -50.64 58.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 77' ' ' MET . 84.5 mt -39.63 -61.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.633 ' CE ' HD13 ' A' ' 83' ' ' ILE . 32.2 tpp -47.18 -48.19 23.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.2 mtt -59.63 -49.88 76.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -56.72 -46.32 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.82 -56.41 13.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 5.6 mmt -46.0 -59.49 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -48.3 -45.21 34.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ALA . . . . . 0.622 ' HB1' HD13 ' A' ' 57' ' ' LEU . . . -54.4 -35.96 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 76.3 mmm -69.44 -62.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 9.0 pt-20 -50.69 -41.73 56.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.481 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 54.7 mt -66.95 -46.29 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -45.39 -66.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' OE2' ' CH2' ' A' ' 96' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.844 0.355 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.75 -57.87 2.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' HA ' HD12 ' A' ' 18' ' ' LEU . 3.5 m-20 -49.43 -55.07 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.87 -53.65 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 17' ' ' LEU . 17.4 mt -59.21 -51.47 69.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.783 ' HG ' HD12 ' A' ' 37' ' ' ILE . 6.2 mt -38.13 -51.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.44 -64.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' HE2' ' CE2' ' A' ' 35' ' ' PHE . 3.7 t80 -45.3 -35.46 3.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -68.03 -67.19 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.97 -41.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' PHE . 68.5 mm-40 -75.97 -61.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' GLU . 53.1 t80 -36.31 -51.96 0.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.425 ' HB2' ' NE2' ' A' ' 32' ' ' HIS . 10.7 t -70.37 -53.14 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -56.55 -18.14 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -97.96 -63.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 27' ' ' ARG . 50.1 m-85 -66.4 -67.78 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.66 -168.67 41.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -103.03 -11.47 18.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.9 m -80.37 17.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 25' ' ' SER . 0.5 OUTLIER -95.36 158.5 34.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 110.9 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.506 ' HG3' ' CD2' ' A' ' 78' ' ' LEU . 53.6 Cg_endo -69.75 104.02 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.3 t -52.74 105.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.536 ' HA ' HG22 ' A' ' 93' ' ' THR . 25.2 m-85 -63.99 154.8 33.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -91.14 120.38 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.783 HD12 ' HG ' ' A' ' 18' ' ' LEU . 32.2 mm -68.43 112.32 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.77 -172.89 32.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 p -92.09 168.56 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.084 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 20.4 tp -69.9 -48.88 56.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -48.99 -36.49 17.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -74.05 -55.04 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -33.6 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 99.5 m-85 -60.77 -54.73 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' ALA . 10.7 pt20 -60.59 -23.92 65.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -78.95 -9.23 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.59 -36.93 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -97.81 -57.85 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -77.99 11.39 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -79.0 161.55 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -52.18 140.38 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.38 -36.34 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -78.28 -40.67 36.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.51 15.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 16.8 mtt180 -52.88 134.14 37.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -155.62 177.39 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.634 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 21.1 mt -112.06 168.52 9.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 37.5 tp -106.95 131.87 53.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.18 107.38 7.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 137' ' ' ILE . 41.5 mt -90.72 136.57 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 134' ' ' PHE . 10.7 t80 -128.58 123.1 32.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.927 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 88.9 mt -91.2 123.22 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -107.5 119.47 39.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 14.1 t-80 -127.33 117.01 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' GLU . 84.3 m-20 -62.2 -58.69 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 49.4 mt-10 -37.64 -42.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -52.74 146.53 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 69' ' ' LEU . 35.3 m -89.13 -41.35 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' N ' HG23 ' A' ' 68' ' ' VAL . 23.1 mt -61.03 -47.44 86.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.458 ' CA ' ' HD3' ' A' ' 132' ' ' PRO . 22.7 m -46.32 -41.89 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -49.78 -60.26 3.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG23 ' N ' ' A' ' 73' ' ' PHE . 29.8 m -71.25 -50.01 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' N ' HG23 ' A' ' 72' ' ' VAL . 12.1 t80 -53.98 -15.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.455 ' HA ' HD12 ' A' ' 78' ' ' LEU . 3.0 m -79.8 -53.35 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.434 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 18.7 m -92.54 -8.08 45.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.813 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 51.5 mm-40 -98.37 -55.91 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -89.96 -70.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.506 ' CD2' ' HG3' ' A' ' 33' ' ' PRO . 11.3 mt -40.61 -23.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -81.64 17.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.659 ' CB ' HD12 ' A' ' 83' ' ' ILE . . . -82.15 102.01 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HA ' HG22 ' A' ' 84' ' ' VAL . 4.4 mp0 -58.72 -59.13 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -48.56 -33.51 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.659 HD12 ' CB ' ' A' ' 80' ' ' ALA . 69.0 mt -79.03 -71.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 80' ' ' ALA . 32.8 m -36.58 -32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 83' ' ' ILE . 37.9 m -70.57 -50.54 36.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.505 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 10.2 t80 -72.02 -48.51 44.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 91' ' ' PHE . 8.2 tp -57.69 -34.62 69.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.3 p -83.23 -41.97 17.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -74.06 -61.63 1.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.505 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 12.1 m120 -68.18 -54.58 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.634 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -98.92 174.53 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.3 mm -100.05 127.9 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 35' ' ' PHE . 37.2 m -86.33 124.09 32.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.084 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 12.5 t90 -152.58 113.3 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -112.04 171.0 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.062 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.473 ' CH2' ' OE2' ' A' ' 13' ' ' GLU . 71.7 t-105 -157.69 123.36 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -86.11 123.42 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 104' ' ' ARG . 5.4 mp -113.01 10.3 18.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.2 m -50.19 -46.13 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -83.65 126.27 32.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -39.49 -42.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -53.41 -55.67 23.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -63.12 -45.5 91.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.678 ' HA ' HD23 ' A' ' 98' ' ' LEU . 8.7 tpt180 -39.1 -49.03 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -67.07 -49.02 66.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 105' ' ' ALA . 47.9 mmt-85 -34.6 -59.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.927 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 33.2 t80 -51.47 -45.4 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' ALA . 72.2 mt -62.41 -47.05 85.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.5 m -57.75 -56.2 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.4 ptp -60.89 -40.03 91.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.8 m -66.52 -38.89 88.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 112' ' ' ASN . 0.5 OUTLIER -48.25 -37.22 15.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 113' ' ' ARG . 1.7 mmp_? -95.49 -53.22 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -40.39 -68.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CE1' HG12 ' A' ' 137' ' ' ILE . 16.9 m-85 -95.96 -45.57 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 142.06 165.48 10.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.1 m -62.42 -49.34 75.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.8 m -48.63 -36.37 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.6 t -73.59 -55.99 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.08 -47.51 22.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -57.74 -43.75 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 33.0 m -43.93 -43.56 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 86.6 mt -77.05 -42.1 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -48.43 -39.6 23.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 73.4 p -68.01 -38.77 82.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.435 ' OE1' ' NE2' ' A' ' 130' ' ' GLN . 31.2 mm-40 -54.48 124.0 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -63.75 175.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -63.18 -54.24 40.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' GLN . 6.6 m-20 -43.88 -47.29 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.45 ' HB3' HE22 ' A' ' 151' ' ' GLN . 17.8 mm-40 -36.12 -47.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.529 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 64.4 m-85 -53.68 155.64 5.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.8 Cg_endo -69.67 -176.18 12.08 Favored 'Cis proline' 0 C--O 1.233 0.229 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.368 -0.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.417 HD21 HE21 ' A' ' 151' ' ' GLN . 23.2 mt -144.32 106.81 4.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 61' ' ' TYR . 3.4 t80 -101.71 115.53 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 135' ' ' LEU . 3.9 mp -115.15 158.56 22.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.6 mt -131.4 113.52 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.542 HG12 ' CE1' ' A' ' 115' ' ' PHE . 5.1 mp -105.78 104.34 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.582 ' H ' HD13 ' A' ' 147' ' ' LEU . 27.8 ttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.2 p30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.784 0.326 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -167.77 163.68 14.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.2 t -80.23 115.43 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.582 HD13 ' H ' ' A' ' 138' ' ' MET . 6.9 mp -89.24 -59.66 2.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -109.73 146.78 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.07 102.44 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.576 HD13 HD23 ' A' ' 159' ' ' LEU . 50.6 mt -98.35 138.4 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.45 HE22 ' HB3' ' A' ' 130' ' ' GLN . 0.6 OUTLIER -92.53 -37.97 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 134.27 -29.6 3.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 1.3 t-20 -67.75 -2.88 7.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.1 t -65.13 165.41 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 156' ' ' VAL . 30.9 p -93.73 141.84 28.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.436 HG22 ' SD ' ' A' ' 77' ' ' MET . 88.7 t -36.86 -45.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 158' ' ' GLU . 3.5 t0 -61.75 -59.05 5.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 157' ' ' ASP . 7.3 mt-10 -38.04 -47.89 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.576 HD23 HD13 ' A' ' 150' ' ' ILE . 25.9 mt -45.65 -58.15 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 16.9 ttm -51.17 -54.59 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 162' ' ' ARG . 7.5 mtt -43.09 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 161' ' ' MET . 10.9 mmp_? -36.41 -56.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.87 -55.76 30.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 35.2 mtp -48.29 -38.96 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.5 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.42 -46.02 67.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -54.89 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 7.7 pt-20 -51.2 -33.24 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 84.6 mt -79.02 -37.76 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -55.61 -59.45 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' OE1' ' CH2' ' A' ' 96' ' ' TRP . 0.7 OUTLIER . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.49 -64.39 3.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -43.1 -45.94 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.02 11.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.4 mt -49.3 -53.17 23.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mt -39.4 -48.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.7 -54.78 41.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -53.33 -48.28 68.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.1 m -53.89 -50.94 65.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 24' ' ' PHE . 8.1 pt-20 -52.54 -37.35 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.459 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 28.5 t80 -57.37 -39.04 75.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.7 t -45.09 -44.93 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.3 t -91.41 -40.34 11.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.547 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -39.08 -59.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE2' ' HD2' ' A' ' 27' ' ' ARG . 62.1 m-85 -116.67 -37.92 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.5 173.21 20.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 m-20 -69.28 -37.32 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.311 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.7 m -52.04 103.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.453 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 2.5 p80 -168.24 152.01 5.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.46 ' HD3' HG11 ' A' ' 84' ' ' VAL . 54.1 Cg_endo -69.76 136.37 32.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -52.04 102.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -75.72 129.21 36.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 5.8 t80 -71.85 127.79 33.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.6 mm -89.65 105.93 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.02 -171.64 33.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 40' ' ' LEU . 78.0 p -92.94 142.18 27.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.953 0.406 . . . . 0.0 110.857 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.628 HD11 HD21 ' A' ' 58' ' ' LEU . 13.5 tp -34.4 -41.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 17.2 mt-10 -36.73 -51.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . -62.53 -56.1 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.091 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.64 -37.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -61.99 -60.76 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.59 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 5.3 pt20 -53.74 -46.65 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' HG11 ' A' ' 50' ' ' VAL . 17.2 tt0 -68.92 1.67 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.03 -32.2 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -117.97 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 45' ' ' GLN . 3.0 m-85 -79.81 18.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 54' ' ' ASP . 34.4 m -93.52 171.87 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -53.61 140.44 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.34 -35.05 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -83.69 -33.46 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 50' ' ' VAL . 9.3 t0 -82.05 17.95 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -57.55 122.7 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -137.56 168.91 18.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 56.9 mt -114.35 162.42 16.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.628 HD21 HD11 ' A' ' 40' ' ' LEU . 56.8 tp -104.41 140.11 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.61 105.13 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.25 134.57 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 78' ' ' LEU . 7.4 t80 -127.08 108.1 10.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB3' HD13 ' A' ' 98' ' ' LEU . 24.0 mt -80.36 118.94 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -100.75 110.39 22.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 13.4 t-80 -117.03 115.01 24.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' GLU . 1.3 m-20 -58.68 -60.19 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' ASP . 15.2 mt-10 -33.85 -44.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.2 t -52.25 159.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 m -106.0 -31.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.91 -24.43 65.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.8 m -68.82 -38.41 79.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -50.53 -45.8 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLN . 30.4 m -90.28 -39.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 17.0 t80 -64.25 -12.46 41.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 15.6 p -94.3 -37.16 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.434 ' C ' ' HB2' ' A' ' 79' ' ' CYS . 47.2 p -97.9 -11.51 23.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 18.5 mm-40 -102.6 -55.61 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.654 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -81.58 -67.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.474 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 14.1 mt -49.8 -56.78 9.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.434 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.2 m -55.35 -28.25 52.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 77' ' ' MET . . . -52.03 109.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.454 ' HA ' HG22 ' A' ' 84' ' ' VAL . 42.2 mm-40 -60.86 -50.39 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -47.81 -41.49 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.66 -70.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 34.8 m -40.3 -38.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 t -56.25 -44.51 79.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.433 ' CE1' ' CB ' ' A' ' 90' ' ' ASN . 8.7 t80 -83.19 -44.58 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' PHE . 12.4 tp -59.44 -33.63 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 p -83.01 -43.53 16.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -70.74 -59.86 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.433 ' CB ' ' CE1' ' A' ' 86' ' ' TYR . 2.9 m-80 -69.84 -51.44 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 56.0 m-85 -105.44 178.18 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 37.0 mm -105.84 128.67 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.3 m -79.89 122.1 26.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.619 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 14.1 t90 -151.75 102.03 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.64 154.1 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.555 ' CH2' ' OE1' ' A' ' 13' ' ' GLU . 77.2 t-105 -141.19 134.52 29.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -91.54 125.43 36.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 62' ' ' LEU . 5.0 mp -117.93 13.61 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.8 m -56.51 -40.66 75.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 100' ' ' LYS . 1.8 mppt? -77.66 145.0 36.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -57.16 -48.08 79.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -62.44 -47.7 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.424 ' ND2' ' HE2' ' A' ' 100' ' ' LYS . 10.1 m-20 -55.73 -59.77 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.3 ttt-85 -38.19 -60.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -59.82 -43.07 94.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -40.93 -53.69 2.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' A' ' 62' ' ' LEU . 28.3 t80 -68.62 -48.62 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 105' ' ' ALA . 16.2 mt -38.84 -58.73 1.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.7 m -51.45 -54.31 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 13.7 mtm -49.25 -51.53 32.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.2 t -45.05 -44.1 9.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.412 ' HA ' ' C ' ' A' ' 116' ' ' GLY . 60.1 t-20 -72.76 -58.75 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.4 ttt-85 -45.74 -38.49 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -86.28 -66.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -79.42 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.412 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 150.72 170.61 18.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 118' ' ' VAL . 1.3 t -59.42 -56.7 18.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.966 0.413 . . . . 0.0 110.858 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 117' ' ' SER . 5.8 p -36.78 -37.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.8 t -77.91 -53.09 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.16 -49.47 66.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -48.31 -45.73 35.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.2 m -48.1 -50.31 28.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.42 HD13 ' HE2' ' A' ' 107' ' ' PHE . 82.8 mt -67.72 -47.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -50.72 -43.51 57.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.1 p -69.13 -36.09 77.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -56.67 126.33 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -66.62 174.45 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 90.2 m -65.09 -52.92 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 130' ' ' GLN . 1.1 m-20 -48.14 -47.12 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' ASP . 76.9 mm-40 -36.62 -43.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 64' ' ' HIS . 15.4 m-85 -53.37 156.99 3.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.673 0.749 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.3 Cg_endo -69.77 178.55 25.07 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.3 0.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.1 mt -131.71 105.33 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -101.27 115.47 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 mp -115.06 151.11 34.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.5 mt -114.17 112.25 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 50.9 mm -93.32 119.48 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.449 ' HB3' HD22 ' A' ' 147' ' ' LEU . 4.2 ttp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -148.17 148.35 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 83.4 t -64.95 114.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 138' ' ' MET . 9.8 mp -86.34 -61.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.32 135.13 55.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 85.5 t -114.97 118.86 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.444 HD11 ' HD2' ' A' ' 162' ' ' ARG . 57.7 mt -115.38 132.32 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -99.8 178.43 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -81.69 29.25 3.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.0 15.43 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.8 t -106.69 171.08 7.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 33.6 p -90.16 132.47 35.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.5 ' HA ' HD12 ' A' ' 159' ' ' LEU . 14.8 p -38.15 -37.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -52.62 57.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.25 -35.84 3.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 156' ' ' VAL . 59.3 mt -58.34 -39.55 79.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.53 -57.42 13.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 7.1 ptp -61.1 -36.62 80.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 161' ' ' MET . 57.5 mmt-85 -63.81 -46.75 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 67.2 mt -59.58 -55.07 39.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 45.4 mtt -48.98 -44.52 41.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 168' ' ' GLU . . . -48.59 -61.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -46.91 -33.81 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 21.9 mtp -73.73 -67.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 11.2 pt-20 -42.3 -37.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 69.7 mt -62.78 -41.29 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -67.87 -41.17 83.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.58 ' OE2' ' CH2' ' A' ' 96' ' ' TRP . 6.0 mm-40 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.926 0.393 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -38.47 -65.72 0.7 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' GLY . 18.1 t70 -35.38 -54.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.75 73.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' GLY . 91.7 mt -64.22 -52.22 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -42.72 -49.88 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -53.55 -45.84 70.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -67.55 -62.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p -39.52 -46.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 -60.07 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.61 -46.32 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 2.8 t80 -63.15 -50.62 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.5 t -47.83 -41.06 22.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 t -80.49 -60.23 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -45.52 -57.52 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.448 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 33.4 m-85 -81.46 -61.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 157.01 -178.44 33.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.23 -42.84 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.3 m -53.01 103.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -168.01 153.82 6.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' CD ' HD22 ' A' ' 78' ' ' LEU . 53.4 Cg_endo -69.82 142.46 47.76 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.272 . . . . 0.0 112.353 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.32 117.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -96.87 116.47 29.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB1' ' A' ' 42' ' ' ALA . 4.3 t80 -58.16 106.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.9 mm -79.02 110.64 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.4 -135.38 4.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.0 p -107.24 157.91 17.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.871 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 62.8 tp -59.98 -41.17 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -54.86 -40.67 69.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.577 ' HB1' ' CZ ' ' A' ' 36' ' ' PHE . . . -52.03 -50.32 61.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.48 -55.81 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 95.9 m-85 -51.27 -43.22 61.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 32.0 mt-30 -61.89 -49.09 77.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 19.1 tt0 -70.12 5.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.96 -34.1 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -118.0 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 19.7 m-85 -78.64 17.94 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 46' ' ' GLU . 35.9 m -105.25 168.28 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -52.33 146.91 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.469 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . . . -54.58 -43.96 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -68.44 -43.46 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.67 17.89 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 41.2 mtp85 -61.06 146.38 47.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 55' ' ' ARG . 77.9 mttt -151.69 177.97 9.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.832 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 55.8 mt -111.97 165.31 12.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 24.8 tp -104.54 137.99 41.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -136.21 106.23 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.123 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.6 HD11 ' HZ ' ' A' ' 115' ' ' PHE . 26.4 mt -78.61 128.88 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 53.2 t80 -108.8 115.2 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 133' ' ' LEU . 87.7 mt -93.36 102.34 14.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.406 ' CE1' ' OH ' ' A' ' 28' ' ' TYR . 77.8 t60 -88.81 134.26 33.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.621 ' CD2' ' HB2' ' A' ' 66' ' ' GLU . 1.6 t60 -142.69 102.05 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' GLU . 9.1 t70 -58.23 -51.26 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.621 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 10.2 mt-10 -37.32 -41.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.2 t -67.48 147.52 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.1 m -86.66 -32.45 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 16.8 mt -61.28 -29.44 69.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.45 HG22 ' SG ' ' A' ' 74' ' ' CYS . 28.1 m -67.59 -36.47 80.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -52.57 -50.15 63.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' GLN . 16.8 m -86.67 -38.14 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 18.4 t80 -61.2 -11.72 10.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 33.8 m -93.14 -38.04 11.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.438 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 15.2 m -101.43 -4.08 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' VAL . 72.8 mm-40 -109.62 -43.06 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.585 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -96.77 -48.31 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 17.3 mt -76.49 18.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.3 m -112.09 -27.56 8.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.821 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -56.03 102.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 85' ' ' SER . 12.5 pt-20 -50.25 -36.93 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.8 p -67.38 -43.45 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 92.7 mt -74.58 -60.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 80' ' ' ALA . 29.8 m -50.31 -35.18 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 12.7 t -81.7 -63.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 3.7 t80 -46.62 -41.84 15.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' PHE . 4.0 tp -68.08 -42.9 79.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.4 m -65.74 -35.63 81.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -80.96 -60.61 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -64.87 -39.88 94.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.832 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 5.7 m-85 -118.7 173.48 6.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.7 mm -108.77 106.26 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.9 m -77.45 121.55 23.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.871 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 50.4 t90 -150.66 131.77 14.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.25 161.7 19.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CH2' ' OE2' ' A' ' 13' ' ' GLU . 25.4 t-105 -112.88 -7.27 13.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.6 t70 52.32 47.93 23.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.495 HD22 HD22 ' A' ' 62' ' ' LEU . 1.7 pt? -77.01 13.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.3 m -43.43 -38.73 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -80.43 152.13 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 102' ' ' SER . 4.6 p30 -57.71 -53.97 52.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' ASP . 51.1 m -37.51 -59.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 76.0 m-20 -57.63 -49.39 76.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 103' ' ' ASN . 6.9 tmm_? -34.89 -46.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.97 -49.22 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 53.3 mtt-85 -51.85 -53.46 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -52.12 -38.87 58.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.406 HD22 ' HB1' ' A' ' 120' ' ' ALA . 20.9 mt -67.28 -46.67 72.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -64.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 11.6 ptp -46.82 -35.32 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 110' ' ' MET . 6.2 m -68.31 -45.44 72.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -45.79 -36.15 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -84.19 -52.36 6.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -60.41 -65.14 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.668 ' HB2' HG11 ' A' ' 119' ' ' VAL . 33.7 m-85 -90.61 -68.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.437 ' O ' HG12 ' A' ' 119' ' ' VAL . . . 159.54 -176.19 36.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' ALA . 30.6 t -78.11 -47.47 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.376 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.3 t -42.69 -51.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.668 HG11 ' HB2' ' A' ' 115' ' ' PHE . 11.2 p -60.85 -29.63 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 117' ' ' SER . . . -72.68 -52.61 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -59.76 -45.03 93.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.1 m -51.41 -44.14 62.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.59 -51.39 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -44.41 -39.35 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 78.5 p -70.44 -36.11 73.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.44 ' OE1' HD21 ' A' ' 133' ' ' LEU . 33.8 mt-30 -55.54 127.61 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 3.4 mptp? -58.06 175.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 52.9 m -75.51 -59.57 2.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.8 -42.15 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 130' ' ' GLN . 1.0 OUTLIER -37.84 -42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.525 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 25.3 m-85 -52.04 156.63 2.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.5 Cg_endo -69.74 156.26 92.81 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.352 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.627 ' HB2' HD12 ' A' ' 62' ' ' LEU . 21.0 mt -106.78 102.0 11.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.542 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 2.7 t80 -94.99 118.99 32.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 135' ' ' LEU . 5.0 mp -118.38 148.92 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 26.2 mt -112.08 109.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 40.0 mm -94.48 138.58 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.1 m120 . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -146.2 173.02 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.06 123.82 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.9 mt -95.88 -61.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -116.38 141.69 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.11 111.65 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.6 mt -100.0 121.34 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 130' ' ' GLN . 65.4 mt-30 -60.67 -56.16 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 145.6 -25.03 1.82 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -80.44 15.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.0 t -77.7 166.44 22.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 47.6 p -86.08 135.24 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 157' ' ' ASP . 7.7 p -41.44 -42.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.436 ' N ' HG13 ' A' ' 156' ' ' VAL . 1.8 m-20 -60.28 -48.21 82.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -49.92 -43.57 49.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.53 -50.52 65.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 2.7 tpt -51.61 -44.56 62.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.7 mmt -68.89 -53.62 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -41.95 -51.7 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 70.5 mt -59.69 -61.33 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 56.4 mmm -42.67 -44.88 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.56 56.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -45.63 -42.19 11.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 2.7 mtp -61.39 -44.16 97.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -54.58 -53.71 50.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.06 -41.1 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -63.45 -61.86 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.895 0.378 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.24 111.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.21 164.44 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -113.31 153.68 28.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -52.42 120.87 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' GLY . 21.5 mt-10 -86.77 -57.93 2.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -35.13 -70.56 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -49.41 -52.12 30.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.9 -44.63 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.94 -44.8 75.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt -46.91 -61.4 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -42.82 -43.16 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -67.86 -55.93 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.5 p -51.9 -37.91 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.195 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.08 71.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -66.41 -55.54 15.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 9.2 t80 -47.98 -37.27 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -53.55 -57.32 11.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.796 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -72.9 -50.86 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -39.77 -61.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.59 -61.82 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.81 174.86 35.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -63.99 -45.38 89.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.4 m -58.01 110.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -167.08 152.84 7.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.45 ' HG3' HD22 ' A' ' 78' ' ' LEU . 53.8 Cg_endo -69.81 130.28 19.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.7 t -52.3 111.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -87.1 122.7 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -63.98 123.38 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.5 mm -95.18 114.59 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.62 -153.28 24.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -98.93 136.86 38.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.672 HD13 ' CH2' ' A' ' 94' ' ' TRP . 26.6 tp -43.43 -39.0 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -48.06 -45.04 31.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.61 90.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.99 -20.66 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -91.19 -56.05 3.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -56.75 -41.92 78.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 5.5 tp10 -69.41 -7.28 36.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.37 -51.52 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' CE2' ' HA3' ' A' ' 139' ' ' GLY . 9.8 m-85 -97.98 -52.03 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 23.4 m-85 -72.93 7.28 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 51' ' ' LYS . 1.5 p -75.55 172.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.584 ' H ' HG22 ' A' ' 50' ' ' VAL . 5.3 mtmp? -52.55 129.2 28.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.13 -22.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' LYS . 20.3 tpt180 -90.85 -40.67 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.475 ' O ' HG11 ' A' ' 50' ' ' VAL . 2.7 m-20 -85.42 17.73 3.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 11.9 mtp180 -54.75 132.26 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 90' ' ' ASN . 8.5 mtmp? -151.51 177.48 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 137' ' ' ILE . 46.6 mt -112.09 158.6 19.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 59' ' ' ALA . 6.1 tp -104.63 151.14 24.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.706 ' HB1' ' CZ ' ' A' ' 134' ' ' PHE . . . -141.91 105.12 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.2 mt -77.63 122.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.574 ' CE2' HD11 ' A' ' 78' ' ' LEU . 49.8 t80 -108.28 102.07 11.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.691 HD22 HD22 ' A' ' 98' ' ' LEU . 74.1 mt -78.73 123.9 27.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -106.22 113.07 26.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -121.63 115.7 23.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' GLU . 10.7 t70 -59.25 -54.74 43.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' ASP . 56.8 mt-10 -37.55 -40.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.0 t -61.05 139.54 58.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.1 m -83.58 -25.3 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' ASN . 13.2 mt -76.38 -48.17 20.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 92.1 m -36.47 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 69' ' ' LEU . 74.2 m-20 -72.54 -61.23 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.61 HG23 ' N ' ' A' ' 73' ' ' PHE . 19.8 m -67.87 -50.99 54.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.61 ' N ' HG23 ' A' ' 72' ' ' VAL . 9.6 t80 -43.94 -32.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 9.2 m -65.87 -53.61 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.435 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 83.4 p -88.76 -1.06 57.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' VAL . 41.6 mm-40 -97.97 -56.29 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 79' ' ' CYS . 8.2 mmt -98.03 -47.26 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 61' ' ' TYR . 39.5 mt -76.77 17.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.435 ' HB3' ' C ' ' A' ' 75' ' ' SER . 22.2 p -102.33 -27.75 12.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -63.98 148.74 48.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -85.35 -38.84 18.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.5 m -66.52 -38.86 88.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.7 mm -69.04 -49.07 65.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 85' ' ' SER . 35.8 m -66.68 -45.19 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.494 ' N ' HG23 ' A' ' 84' ' ' VAL . 19.5 m -63.24 -45.95 89.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 9.8 t80 -69.62 -50.3 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.4 -34.14 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 p -82.64 -45.29 14.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.24 -61.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.501 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 9.4 m120 -66.76 -54.57 21.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -101.05 175.26 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.6 mm -103.0 106.83 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.403 HG21 ' HB2' ' A' ' 33' ' ' PRO . 92.1 m -75.1 121.58 22.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.672 ' CH2' HD13 ' A' ' 40' ' ' LEU . 34.0 t90 -143.43 127.21 17.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.72 149.85 36.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 77.4 t-105 -143.79 112.95 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.92 106.5 7.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.691 HD22 HD22 ' A' ' 62' ' ' LEU . 1.9 pt? -112.18 17.34 19.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.5 m -44.83 -68.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -63.63 146.3 54.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 102' ' ' SER . 5.6 p-10 -50.42 -51.57 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 101' ' ' ASP . 1.4 t -37.11 -53.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.418 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 34.9 m120 -71.18 -42.75 68.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -45.51 -60.18 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -56.83 -54.09 50.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 105' ' ' ALA . 58.1 mtt-85 -37.3 -62.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.416 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 63.5 t80 -48.79 -54.54 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.447 ' CD2' ' HB1' ' A' ' 120' ' ' ALA . 12.1 mt -48.71 -46.0 40.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.2 m -60.78 -45.87 92.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 25.8 mtm -61.24 -55.84 27.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.416 ' SG ' ' CZ ' ' A' ' 107' ' ' PHE . 1.8 m -58.31 -40.0 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -42.66 -42.55 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -94.44 -61.92 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -41.13 -54.01 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.428 ' HB3' HG21 ' A' ' 119' ' ' VAL . 2.1 m-85 -95.32 -60.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.52 179.01 31.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 85.8 p -80.45 -39.56 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 17.7 m -63.39 -21.98 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 115' ' ' PHE . 95.5 t -80.94 -58.46 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 108' ' ' LEU . . . -51.32 -54.92 21.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -43.1 -50.2 6.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.5 m -47.05 -52.5 14.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.8 mm -48.76 -40.54 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -59.33 -44.06 92.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.5 p -69.97 -41.73 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -52.31 114.86 1.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 176.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 21.2 m -82.82 -42.66 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.22 -46.41 72.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -39.36 -40.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.522 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 50.0 m-85 -52.11 156.62 2.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.6 Cg_endo -69.79 152.52 92.46 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.315 -0.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.82 103.02 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.706 ' CZ ' ' HB1' ' A' ' 59' ' ' ALA . 8.1 t80 -91.57 114.73 27.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.41 154.0 26.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 67.7 mt -126.28 128.61 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 137' ' ' ILE . 3.6 mp -112.26 143.81 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.906 ' HB2' HD11 ' A' ' 147' ' ' LEU . 20.6 ttt -95.41 -38.98 10.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.486 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . 93.93 122.13 3.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 141' ' ' ARG . 27.9 tttp -142.72 127.94 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 140' ' ' LYS . 37.3 ttt85 -37.25 -45.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 m -61.0 -58.43 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.6 m -166.42 154.83 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -77.14 126.83 31.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -129.68 145.09 51.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.9 152.12 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.906 HD11 ' HB2' ' A' ' 138' ' ' MET . 46.9 mt -108.05 -37.47 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -137.97 143.17 40.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 97.0 t -131.84 103.8 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 25.7 mt -91.17 135.64 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.163 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -61.06 -66.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 159.32 -27.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.04 16.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.529 HG21 HD21 ' A' ' 159' ' ' LEU . 6.5 t -70.34 173.26 7.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 158' ' ' GLU . 61.4 p -101.48 129.8 47.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 155' ' ' THR . 1.0 OUTLIER -35.88 -35.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.83 -46.45 87.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 155' ' ' THR . 13.7 mt-10 -54.88 -38.75 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 154' ' ' THR . 37.7 mt -58.06 -42.29 85.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -55.52 -57.9 9.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 161' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 20.0 ptt? -63.18 -42.7 99.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 161' ' ' MET . 14.5 mmt85 -56.81 -41.96 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.76 -59.4 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 26.2 mtt -50.36 -45.27 55.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -57.16 -51.19 70.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -46.57 -32.41 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 7.5 mtp -71.08 -61.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 16.9 pt-20 -54.99 -36.56 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.442 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 74.7 mt -67.04 -49.39 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.41 -57.79 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 75.6 p -47.24 -41.99 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.84 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -61.1 -53.91 51.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.17 156.25 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -123.28 176.3 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 177' ' ' ASP . 4.9 pm0 -101.87 -35.34 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 176' ' ' GLU . 11.4 m-20 -66.74 -54.94 17.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -75.17 156.01 36.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.64 137.96 51.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -89.84 176.71 6.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.51 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 1.3 p30 -67.24 110.84 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.01 -47.81 15.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.71 -48.87 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.631 ' HA ' HD12 ' A' ' 18' ' ' LEU . 6.6 t70 -58.82 -50.95 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.818 0.342 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.62 -62.63 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 18' ' ' LEU . 79.3 mt -54.53 -52.8 60.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 15' ' ' ASP . 15.1 mt -32.98 -45.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -66.01 -51.48 57.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 15.8 t80 -56.67 -47.93 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.8 m -59.67 -51.58 69.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.13 -59.96 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.13 -43.99 82.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -50.32 -34.64 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' GLY . 43.2 m -54.21 -60.27 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.0 t -71.4 -33.3 69.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -41.46 -62.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CZ ' ' SG ' ' A' ' 74' ' ' CYS . 69.3 m-85 -112.18 -37.87 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 160.89 162.34 12.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 5.5 p-10 -57.76 -40.74 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -52.12 108.16 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 1.6 p80 -167.98 152.04 6.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.5 Cg_endo -69.78 124.64 11.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.1 p -52.11 108.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CD2' HG22 ' A' ' 93' ' ' THR . 92.5 m-85 -81.61 145.45 30.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.2 t80 -85.06 114.86 22.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.5 mm -69.58 107.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.85 -153.36 24.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 t -119.51 153.81 34.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD11 HD21 ' A' ' 58' ' ' LEU . 13.4 tp -41.96 -40.58 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -51.53 67.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB1' ' OE1' ' A' ' 45' ' ' GLN . . . -60.06 -57.48 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.1 -46.32 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -49.92 -41.2 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.458 ' OE1' ' HB1' ' A' ' 42' ' ' ALA . 2.8 pt20 -59.99 -24.68 64.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HA ' HG13 ' A' ' 50' ' ' VAL . 5.8 tp10 -108.74 9.42 26.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.99 -66.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 13.9 m-85 -113.57 -37.92 4.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 4.4 m-30 -44.09 -39.12 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.446 HG13 ' HA ' ' A' ' 46' ' ' GLU . 26.8 m -63.03 166.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.462 ' CD ' ' HG2' ' A' ' 53' ' ' ARG . 2.9 ptpt -52.0 179.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . . . -80.26 -34.14 37.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.462 ' HG2' ' CD ' ' A' ' 51' ' ' LYS . 1.5 ptt180 -59.17 -25.43 63.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 32.8 p30 -117.77 16.38 14.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 12.7 mtp180 -61.14 138.18 58.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.418 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 75.9 mttt -148.32 176.95 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 138' ' ' MET . 6.3 mt -112.58 167.42 10.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.585 HD21 HD11 ' A' ' 40' ' ' LEU . 67.9 tp -105.08 144.38 31.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.11 112.86 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.478 ' CD1' HG13 ' A' ' 137' ' ' ILE . 5.3 mp -89.52 122.37 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -112.45 108.97 18.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.811 HD12 ' HB2' ' A' ' 133' ' ' LEU . 53.0 mt -82.47 129.1 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -116.71 128.33 55.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' ND1' ' HB2' ' A' ' 66' ' ' GLU . 11.2 t-80 -139.51 113.61 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.9 t70 -56.14 -56.18 24.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' ASP . 45.7 mm-40 -36.43 -45.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 t -55.06 145.56 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.7 m -87.14 -26.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.14 -30.36 63.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 89.7 m -61.24 -31.61 71.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 34.4 m120 -67.43 -52.14 43.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -74.52 -54.76 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 13.9 t80 -45.56 -19.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 72' ' ' VAL . 1.6 m -69.46 -67.0 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.418 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 78.3 p -88.27 -2.68 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 mm100 -97.96 -50.87 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.92 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 15.3 mt -46.97 -26.29 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.418 ' HB3' ' C ' ' A' ' 75' ' ' SER . 13.9 p -58.8 -37.63 76.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.06 115.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HA ' HG22 ' A' ' 84' ' ' VAL . 20.2 mt-10 -70.67 -44.19 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 44.4 p -50.69 -22.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' SER . 70.8 mt -94.79 -69.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 81' ' ' GLU . 19.9 m -38.3 -28.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' ILE . 22.7 t -85.27 -63.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 3.6 t80 -48.66 -45.16 38.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.11 -40.12 95.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.6 p -68.17 -38.75 82.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -78.77 -62.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.47 ' ND2' ' SD ' ' A' ' 167' ' ' MET . 4.9 m120 -63.06 -43.89 97.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.737 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.0 m-85 -114.74 177.34 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.8 mm -102.13 120.76 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.514 HG22 ' CD2' ' A' ' 35' ' ' PHE . 94.5 m -74.62 120.13 19.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.573 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 5.7 t90 -153.42 120.9 5.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -123.34 166.5 15.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.556 ' O ' HD12 ' A' ' 98' ' ' LEU . 72.7 t-105 -151.59 122.79 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.591 ' OD1' ' CE2' ' A' ' 20' ' ' PHE . 1.8 m-20 -78.51 111.56 14.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 96' ' ' TRP . 5.2 mp -94.97 10.75 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -49.21 -45.86 45.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -82.22 138.8 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -52.09 -51.2 59.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.2 m -54.44 -54.21 43.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -54.35 -57.75 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -43.57 -59.63 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -56.34 -51.74 67.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 105' ' ' ALA . 60.4 ttt180 -36.43 -56.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -56.42 -53.48 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.3 mt -51.74 -43.11 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.6 m -63.81 -67.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.0 ptm -47.08 -46.35 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.438 ' HG ' ' HD1' ' A' ' 115' ' ' PHE . 4.0 t -46.81 -57.19 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 112' ' ' ASN . 25.2 t-20 -45.6 -49.79 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -51.91 -44.0 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -82.82 -68.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.537 ' HB3' HG21 ' A' ' 119' ' ' VAL . 88.1 m-85 -78.26 -68.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.57 166.92 12.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.554 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.5 t -58.53 -41.38 85.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 25.7 m -47.22 -24.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 115' ' ' PHE . 84.7 t -91.07 -63.17 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.26 -46.6 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 125' ' ' THR . 37.4 tt0 -53.68 -54.24 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 95.2 m -42.58 -32.83 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.461 HD13 HD11 ' A' ' 62' ' ' LEU . 88.9 mt -85.89 -50.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -51.29 -38.23 51.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 121' ' ' GLN . 4.8 t -72.48 -34.6 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -63.62 147.54 51.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -77.76 169.91 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 38.4 m -66.46 -36.85 83.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.69 -47.06 64.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -40.03 -46.36 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.542 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 70.4 m-85 -53.65 153.58 7.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.83 142.79 71.84 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.331 0.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.811 ' HB2' HD12 ' A' ' 62' ' ' LEU . 13.1 mt -96.44 104.71 16.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.58 114.55 27.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.3 mp -115.47 152.27 33.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 93.0 mt -113.07 110.97 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.48 HD12 ' CE2' ' A' ' 115' ' ' PHE . 28.8 mm -105.21 120.83 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.855 ' HA ' HD22 ' A' ' 57' ' ' LEU . 5.7 ptm -82.63 -30.98 29.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 80.89 147.93 5.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.539 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 142' ' ' SER . 15.6 tttp -150.52 116.26 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -36.01 -30.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 140' ' ' LYS . 5.1 t -83.23 -67.6 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 64.0 p -151.5 128.09 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -69.53 152.29 44.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -152.11 162.63 40.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 67.4 t -93.75 130.02 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.07 -62.76 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.75 139.31 53.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 96.6 t -117.64 126.96 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 45.4 mt -118.08 106.68 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -42.69 -61.43 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 143.84 -19.8 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -79.58 11.79 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.0 t -77.53 177.65 7.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 158' ' ' GLU . 81.3 p -95.85 131.07 42.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.51 ' HA ' HD12 ' A' ' 159' ' ' LEU . 12.2 p -34.95 -35.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 155' ' ' THR . 7.4 m-20 -64.04 -50.08 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 155' ' ' THR . 6.1 mt-10 -48.68 -37.51 18.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 156' ' ' VAL . 11.1 mt -69.27 -47.32 64.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -53.24 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 162' ' ' ARG . 2.8 mmt -66.3 -55.25 16.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' MET . 1.3 mmp_? -38.14 -49.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.2 mt -47.91 -54.51 12.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.6 mmt -53.11 -58.96 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -42.56 -50.56 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -48.4 -40.81 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.605 ' O ' HG22 ' A' ' 171' ' ' THR . 5.1 mtp -69.57 -60.83 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -45.9 -42.65 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 30.8 mt -75.66 -49.34 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.621 ' CG ' HD21 ' A' ' 57' ' ' LEU . 28.1 t80 -42.67 -62.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 172' ' ' ALA . 0.7 OUTLIER -49.33 -64.34 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.739 ' H ' HG23 ' A' ' 171' ' ' THR . . . -44.37 -44.18 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -58.64 -44.71 90.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.1 167.3 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' GLN . . . . . 0.708 ' NE2' HD12 ' A' ' 178' ' ' ILE . 8.4 pt20 -65.32 158.04 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -82.72 -50.12 9.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -38.06 -57.23 1.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.708 HD12 ' NE2' ' A' ' 175' ' ' GLN . 72.6 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -96.17 104.7 16.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.54 160.2 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -95.56 176.25 6.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -66.04 114.07 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' OE1' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -40.13 -57.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 15' ' ' ASP . . . -37.45 -62.96 0.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.461 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 14' ' ' GLY . 7.0 t70 -36.99 -56.4 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.42 -50.75 9.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.19 -52.09 66.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.1 mt -46.99 -41.08 15.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -66.43 -48.12 71.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -60.31 -53.94 51.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -39.3 -58.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.8 -55.35 31.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -48.85 -44.41 39.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.2 t80 -58.38 -37.05 74.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 m -73.21 -40.16 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.6 p -69.4 -40.59 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -78.36 -63.18 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 38.7 m-85 -78.36 -68.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.93 151.73 7.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -48.14 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.313 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.6 m -54.62 102.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -167.56 157.6 9.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.75 124.56 11.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.4 p -63.92 120.07 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 75.9 m-85 -82.25 145.26 30.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CD2' ' OE1' ' A' ' 46' ' ' GLU . 43.6 t80 -68.59 103.81 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.98 104.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' OE2' ' A' ' 13' ' ' GLU . . . 159.02 -164.3 33.69 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -89.53 144.56 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 8.9 tp -49.99 -24.5 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -56.46 -51.9 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -55.77 -51.01 68.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -35.64 -40.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -61.23 -44.13 97.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.548 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 5.3 pt20 -77.12 -45.94 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.621 ' OE1' ' CD2' ' A' ' 36' ' ' PHE . 27.8 tt0 -57.55 -9.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.97 -35.99 3.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 24.9 m-85 -97.72 -41.68 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.548 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 2.9 m-85 -77.69 16.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 46' ' ' GLU . 32.7 m -86.26 171.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.96 154.43 22.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.11 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -78.2 -39.2 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.57 15.31 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 43.9 mtm-85 -54.19 135.7 43.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 9.6 mtmp? -144.05 178.21 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.867 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 38.3 mt -112.02 175.33 5.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.4 tp -109.81 133.9 52.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.538 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -121.29 110.56 16.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.5 mt -93.07 115.6 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -108.62 112.03 24.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 133' ' ' LEU . 33.9 mt -91.38 106.34 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -84.28 118.83 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 5.3 t-80 -126.96 120.63 29.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.6 t0 -68.81 -56.51 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 29.4 mt-10 -33.44 -45.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.9 t -58.31 139.25 55.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.2 m -90.43 -26.77 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 70' ' ' THR . 12.5 mt -65.68 -47.77 74.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 69' ' ' LEU . 86.1 m -32.11 -43.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.576 ' OD1' HG13 ' A' ' 72' ' ' VAL . 1.3 p-10 -48.84 -54.15 16.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG13 ' OD1' ' A' ' 71' ' ' ASN . 23.6 m -84.45 -44.97 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -40.34 -35.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.495 ' CB ' HD12 ' A' ' 78' ' ' LEU . 27.6 p -90.97 -37.88 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.425 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 12.1 m -74.4 -12.1 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' VAL . 30.2 mm-40 -109.83 -38.73 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.603 ' HB3' HD11 ' A' ' 159' ' ' LEU . 19.4 mtt -99.85 -49.43 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' A' ' 74' ' ' CYS . 87.5 mt -82.64 17.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.425 ' HB3' ' C ' ' A' ' 75' ' ' SER . 2.6 p -105.35 -23.92 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.95 128.81 34.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.434 ' HA ' HG22 ' A' ' 84' ' ' VAL . 27.5 mt-10 -64.91 -40.2 94.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.8 t -62.81 -34.23 76.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.458 HD13 ' CE ' ' A' ' 160' ' ' MET . 29.6 mm -76.15 -58.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.477 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 24.9 m -54.6 -35.1 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 89' ' ' GLN . 3.9 t -77.21 -58.45 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -50.53 -46.78 57.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.569 HD11 ' HZ ' ' A' ' 134' ' ' PHE . 8.1 tp -68.03 -34.51 76.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.4 p -86.5 -11.61 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -96.55 -58.11 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.95 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 8.7 m120 -80.09 -36.73 35.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.867 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.8 m-85 -110.53 167.99 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.8 mm -95.76 122.63 47.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 33' ' ' PRO . 26.0 m -86.4 113.26 22.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 82.1 t90 -140.82 127.45 20.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -124.07 155.33 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.501 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 76.4 t-105 -142.33 109.58 5.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -71.62 107.99 4.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.583 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -116.36 17.53 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.0 m -51.73 -43.47 62.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -68.66 149.78 48.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 101' ' ' ASP . 30.9 t0 -58.71 -58.04 10.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.4 t -41.89 -52.59 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.29 -39.93 78.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 ttt-85 -47.79 -53.12 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.68 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 109' ' ' THR . 69.7 mtt-85 -43.36 -65.6 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.554 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 39.8 t80 -43.26 -45.91 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.427 ' O ' ' SG ' ' A' ' 111' ' ' CYS . 17.3 mt -72.2 -23.51 61.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' ARG . 32.0 m -82.26 -29.04 31.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.9 ptm -85.19 -38.07 19.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 108' ' ' LEU . 28.3 p -53.3 -26.86 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -74.44 -29.75 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -87.89 -41.72 13.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -71.5 -62.0 1.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -92.63 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . 148.18 -157.93 27.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -82.6 -55.17 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.6 t -38.89 -61.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.63 -46.5 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -46.04 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -44.59 -47.21 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.3 m -38.87 -51.73 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.7 mt -70.18 -56.43 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -40.29 -44.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 67.7 p -68.41 -40.6 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -53.86 119.55 5.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -59.21 177.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.1 m -72.74 -56.04 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.12 -41.97 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -45.17 -43.53 10.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.512 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 21.6 m-85 -52.12 158.6 1.76 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.74 165.95 75.24 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.357 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.625 ' HB2' HD12 ' A' ' 62' ' ' LEU . 16.5 mt -115.38 111.15 20.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.569 ' HZ ' HD11 ' A' ' 87' ' ' LEU . 2.2 t80 -97.44 119.05 35.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 135' ' ' LEU . 2.8 mp -123.6 143.45 50.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.478 HD12 ' HB2' ' A' ' 148' ' ' ASN . 57.4 mt -113.52 104.53 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 31.7 mm -96.96 107.33 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.538 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 14.6 ttp -97.68 -62.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 138' ' ' MET . . . 33.05 -146.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 139' ' ' GLY . 2.4 mptp? -122.23 177.02 5.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 36.6 ptt85 -50.38 -40.77 50.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.8 m -97.84 -66.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.7 p -63.73 162.12 13.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -142.45 153.32 43.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -160.7 168.06 25.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.456 HG11 ' CG2' ' A' ' 149' ' ' VAL . 97.9 t -106.28 125.24 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -93.96 -62.86 1.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASN . . . . . 0.478 ' HB2' HD12 ' A' ' 136' ' ' ILE . 91.8 m-20 -121.54 140.93 51.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.456 ' CG2' HG11 ' A' ' 146' ' ' VAL . 67.4 t -128.97 108.18 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.4 mt -99.78 140.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.44 -67.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 170.46 -27.79 0.11 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -80.05 12.98 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.9 t -65.43 178.15 1.01 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 158' ' ' GLU . 74.1 p -129.23 146.76 51.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 77' ' ' MET . 69.8 t -37.34 -48.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.44 -41.4 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 155' ' ' THR . 21.6 mm-40 -60.86 -48.04 83.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' ' 77' ' ' MET . 55.2 mt -49.38 -57.79 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.458 ' CE ' HD13 ' A' ' 83' ' ' ILE . 5.4 mmt -48.18 -53.45 16.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.6 mtp -57.09 -58.79 6.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.445 ' HD3' ' ND2' ' A' ' 148' ' ' ASN . 12.7 mmp_? -47.45 -48.08 26.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.04 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 33.4 mtp -46.11 -51.86 13.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.92 -48.87 72.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -52.26 -35.81 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 41.7 mmm -73.37 -48.36 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -61.14 -38.25 85.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 74.1 mt -65.44 -38.62 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.451 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 26.1 t80 -53.15 -68.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.726 HG23 ' H ' ' A' ' 172' ' ' ALA . 1.3 t -50.44 -61.63 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.726 ' H ' HG23 ' A' ' 171' ' ' THR . . . -47.37 -37.76 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -66.98 -67.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.08 177.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -134.68 167.91 19.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -123.7 113.25 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.99 -61.27 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.692 ' H ' HD12 ' A' ' 178' ' ' ILE . 4.5 mp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -149.56 165.89 30.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.34 151.19 31.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -83.75 130.77 34.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 57.62 45.31 19.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -69.34 -61.84 1.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.24 -59.37 6.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.426 ' HA ' HD12 ' A' ' 18' ' ' LEU . 1.7 m-20 -50.71 -41.9 56.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.55 -48.48 71.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' LEU . 92.7 mt -63.75 -53.01 57.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LEU . 10.5 mt -34.03 -55.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -59.13 -57.86 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 2.4 t80 -46.71 -53.94 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -44.58 -52.51 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.43 -53.28 56.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' PHE . 9.7 mm-40 -58.19 -61.19 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.6 t80 -33.75 -57.76 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 38.8 p -58.77 -66.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . 12.6 t -37.66 -52.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -39.78 -63.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -91.65 -67.74 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.42 -155.32 11.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -39.19 15.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 t -52.87 107.43 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -167.9 152.99 6.65 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.546 0.688 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.736 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.9 Cg_endo -69.75 127.46 14.63 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.9 p -56.63 106.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 71.1 m-85 -78.39 138.15 38.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 11.3 t80 -75.26 119.12 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mm -81.85 114.97 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.26 179.46 26.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -73.06 137.87 45.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.65 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 13.1 tp -51.69 -39.17 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.54 -30.04 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -76.98 -54.87 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.82 -35.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.531 ' CE1' HD23 ' A' ' 58' ' ' LEU . 68.2 m-85 -58.62 -48.27 81.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' ALA . 5.6 pt20 -58.71 -43.62 90.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 29.6 tp10 -62.63 -15.59 52.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.19 -49.63 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.576 ' CZ ' ' HA3' ' A' ' 139' ' ' GLY . 0.4 OUTLIER -98.02 -68.13 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.441 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 24.3 m-85 -43.74 -28.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.636 HG22 ' H ' ' A' ' 51' ' ' LYS . 6.3 p -53.79 171.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.636 ' H ' HG22 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -59.51 137.59 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.24 -31.16 13.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -49.29 -47.32 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.93 -70.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 54.46 34.23 20.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -52.4 176.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.633 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 14.4 mt -112.81 171.39 7.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.531 HD23 ' CE1' ' A' ' 44' ' ' PHE . 40.7 tp -109.61 147.58 32.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -144.91 113.15 6.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.45 HG21 ' HE2' ' A' ' 107' ' ' PHE . 4.1 mp -89.08 129.26 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CE1' HD11 ' A' ' 78' ' ' LEU . 33.5 t80 -115.22 104.16 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 107' ' ' PHE . 95.6 mt -82.48 124.33 29.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -106.26 130.59 54.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -133.02 125.21 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLU . 29.8 t0 -70.31 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' ASP . 52.6 mt-10 -34.39 -42.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 t -61.78 135.36 57.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.8 m -86.09 -23.47 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.446 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 31.3 mt -70.65 -32.05 69.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.0 m -60.41 -46.34 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -46.29 -64.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 73' ' ' PHE . 26.8 m -69.46 -51.82 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.627 ' N ' HG23 ' A' ' 72' ' ' VAL . 3.3 t80 -37.83 -35.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 2.2 m -61.17 -68.99 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 54.0 p -76.96 0.07 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' VAL . 66.8 mm-40 -93.68 -56.26 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.586 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 15.1 mtt -104.72 -38.89 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 61' ' ' TYR . 13.6 mt -81.18 17.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.409 ' HB3' ' C ' ' A' ' 75' ' ' SER . 15.8 p -101.66 -33.38 9.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -55.42 143.6 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HA ' HG22 ' A' ' 84' ' ' VAL . 1.8 tt0 -86.77 -32.19 20.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.8 m -66.86 -33.53 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.8 mt -81.75 -60.5 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 80' ' ' ALA . 33.4 m -49.4 -31.32 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 m -84.24 -67.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 5.0 t80 -45.71 -37.5 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.88 -46.53 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.6 p -75.09 -43.29 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -58.72 -53.02 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -84.53 -56.05 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.633 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 10.4 m-85 -97.27 177.21 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mm -105.06 107.61 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.736 HG21 ' HB2' ' A' ' 33' ' ' PRO . 38.8 m -69.76 124.21 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.65 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 64.7 t90 -148.32 123.02 9.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -109.81 156.34 20.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 70.9 t-105 -148.32 127.45 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.34 109.6 20.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -112.34 12.77 20.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.3 m -49.06 -49.9 39.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.435 ' HE2' ' N ' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -63.73 139.31 58.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -48.35 -50.16 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -54.53 -55.4 29.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -53.18 -45.06 68.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -46.22 -49.73 16.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 108' ' ' LEU . . . -61.94 -48.25 81.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 110' ' ' MET . 69.0 mtt180 -40.29 -57.74 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.786 ' CD2' HD21 ' A' ' 62' ' ' LEU . 60.3 t80 -52.92 -31.81 42.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.697 HD22 ' HB1' ' A' ' 120' ' ' ALA . 12.6 mt -79.9 -65.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 110' ' ' MET . 0.8 OUTLIER -48.76 -41.93 33.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -69.17 -38.12 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 107' ' ' PHE . 1.7 m -64.53 -43.06 95.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -50.54 -32.45 18.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -94.56 -57.31 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -51.97 -59.94 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -97.56 -68.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.9 -169.31 35.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.7 m -82.73 -42.67 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 22.2 m -48.72 -22.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -89.45 -57.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.697 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . -52.92 -53.54 47.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -42.92 -55.05 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.8 m -46.74 -44.28 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.4 mm -57.85 -48.91 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -44.78 -43.51 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.0 p -71.87 -37.34 70.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -56.67 122.29 11.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -73.5 177.87 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.8 m -70.62 -64.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -39.92 -45.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -41.37 -42.19 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.531 ' CZ ' HD12 ' A' ' 133' ' ' LEU . 16.3 m-85 -52.07 158.9 1.62 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.4 Cg_endo -69.79 -178.09 16.0 Favored 'Cis proline' 0 C--O 1.232 0.211 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.337 0.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 151' ' ' GLN . 38.4 mt -133.6 103.78 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.49 ' C ' HD22 ' A' ' 135' ' ' LEU . 3.4 t80 -90.17 111.28 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.868 HD13 ' HA ' ' A' ' 149' ' ' VAL . 1.1 mm? -102.74 163.54 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 162' ' ' ARG . 87.0 mt -138.0 106.98 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.4 mp -103.86 137.21 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.401 ' HA ' HD22 ' A' ' 57' ' ' LEU . 2.4 ttt -86.65 -44.58 11.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.576 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 90.34 139.06 7.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 141' ' ' ARG . 20.9 mtmt -156.36 124.47 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 140' ' ' LYS . 37.5 ttp180 -33.19 -37.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 140' ' ' LYS . 15.6 t -67.6 -57.58 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.4 p -164.17 170.96 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -112.75 146.17 39.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.55 147.81 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 146' ' ' VAL . 2.6 m -80.64 119.62 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.1 mp -77.43 -21.18 53.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -158.0 146.93 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.868 ' HA ' HD13 ' A' ' 135' ' ' LEU . 64.0 t -122.81 101.98 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.613 HD11 ' HG3' ' A' ' 162' ' ' ARG . 10.6 mt -92.33 150.72 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.576 ' HA ' HD23 ' A' ' 133' ' ' LEU . 2.4 mp0 -115.81 178.38 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -68.01 -21.01 73.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -78.93 2.43 20.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.499 ' O ' ' CE ' ' A' ' 77' ' ' MET . 2.6 t -69.25 147.59 51.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.1 p -84.86 133.07 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 157' ' ' ASP . 11.9 p -40.34 -42.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.479 ' N ' HG13 ' A' ' 156' ' ' VAL . 1.1 m-20 -59.6 -44.5 93.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.12 -49.04 72.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 79.6 mt -45.38 -55.92 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 41.4 tpp -56.19 -43.39 78.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 162' ' ' ARG . 73.3 mmm -59.61 -59.61 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.613 ' HG3' HD11 ' A' ' 150' ' ' ILE . 7.9 mmt180 -37.01 -63.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.402 HD22 ' CG ' ' A' ' 91' ' ' PHE . 88.6 mt -43.12 -58.52 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.2 mtm -48.08 -42.8 29.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.89 -61.77 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -44.01 -41.42 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 3.5 mmt -60.97 -53.33 58.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.43 -52.13 66.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.2 mt -57.03 -39.21 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.37 -55.18 34.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 23.2 p -57.71 -52.27 66.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.57 64.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -52.47 -52.13 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -61.71 151.03 34.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -88.83 126.92 35.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -144.9 121.56 11.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -78.69 -60.91 2.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.659 ' H ' HD12 ' A' ' 178' ' ' ILE . 4.5 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -61.16 -46.64 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.4 172.37 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -113.83 134.21 54.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -56.54 -57.6 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -51.31 -54.15 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.58 -47.57 17.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -57.82 -55.19 38.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.63 -41.64 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' LEU . 92.5 mt -71.21 -56.52 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.8 mt -34.38 -43.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -67.73 -66.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -45.49 -52.4 10.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.4 p -46.58 -49.45 18.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.69 -67.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' PHE . 9.0 mm-40 -52.46 -61.12 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' GLU . 24.7 t80 -33.69 -42.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' SER . 4.2 m -79.3 -64.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' SER . 29.7 t -37.14 -41.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -54.19 -58.67 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 30.4 m-85 -84.66 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.58 -160.97 22.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -89.82 -44.61 9.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -53.22 114.64 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -167.45 156.15 8.94 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.4 Cg_endo -69.82 128.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -58.67 114.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -88.45 127.24 35.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.41 107.63 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.0 mm -66.97 104.73 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.32 -163.38 33.89 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' ALA . 77.3 p -101.58 153.35 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 tp -41.18 -40.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.57 -40.07 78.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' SER . . . -58.71 -55.05 40.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.79 -45.13 3.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -57.65 -35.79 70.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.432 ' OE1' ' CE2' ' A' ' 49' ' ' TYR . 5.9 mm100 -66.52 -21.54 66.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' HA ' HG13 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -116.01 7.07 14.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.21 -59.93 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -116.08 -36.11 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.432 ' CE2' ' OE1' ' A' ' 45' ' ' GLN . 3.0 m-85 -51.04 -27.02 7.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.543 HG13 ' HA ' ' A' ' 46' ' ' GLU . 19.7 m -62.16 177.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 161.17 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.66 -33.17 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -82.07 -34.09 29.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.93 0.54 52.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -53.15 146.98 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -150.01 177.99 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.98 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 85.5 mt -111.58 162.15 15.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.6 tp -116.01 147.52 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -147.21 109.25 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -83.17 125.59 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CE1' HD11 ' A' ' 78' ' ' LEU . 14.6 t80 -108.63 105.53 15.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.638 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 81.3 mt -77.3 116.89 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -89.38 135.08 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -143.24 124.06 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.95 -56.73 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HB2' HG21 ' A' ' 128' ' ' THR . 22.2 mt-10 -37.86 -41.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 t -58.94 154.43 15.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -97.42 -34.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.84 -33.11 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.6 m -55.13 -40.4 70.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 13.9 t-20 -49.7 -63.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.6 HG23 ' H ' ' A' ' 73' ' ' PHE . 15.8 m -70.88 -55.69 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.6 ' H ' HG23 ' A' ' 72' ' ' VAL . 8.5 t80 -46.26 -20.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.445 ' SG ' ' CZ ' ' A' ' 24' ' ' PHE . 10.8 t -73.87 -54.65 7.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 95.6 p -97.11 0.83 49.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' VAL . 95.8 mm-40 -106.09 -47.12 3.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.9 -56.53 2.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.699 HD11 ' CE1' ' A' ' 61' ' ' TYR . 7.5 mt -59.8 -28.88 67.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.448 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.3 m -90.18 -8.54 50.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.702 ' HB3' HD12 ' A' ' 83' ' ' ILE . . . -52.1 102.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.587 ' HA ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -47.16 -57.09 5.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -48.31 -19.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.702 HD12 ' HB3' ' A' ' 80' ' ' ALA . 80.2 mt -98.06 -69.42 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 81' ' ' GLU . 23.6 m -36.87 -30.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' ILE . 2.8 m -70.72 -52.87 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.659 ' CE2' ' CG ' ' A' ' 90' ' ' ASN . 44.6 t80 -79.26 -55.41 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 91' ' ' PHE . 6.7 tp -41.77 -34.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -90.04 -43.04 10.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.75 -61.2 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.659 ' CG ' ' CE2' ' A' ' 86' ' ' TYR . 5.8 m-80 -77.07 -50.63 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.98 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -99.13 176.01 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.9 mm -113.25 117.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' ' 33' ' ' PRO . 27.4 m -79.82 134.48 36.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 96' ' ' TRP . 58.4 t90 -155.81 108.75 2.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.13 146.14 25.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 74.8 t-105 -140.29 128.64 22.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.66 107.72 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.489 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -115.12 7.63 15.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.4 m -63.52 -40.15 96.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -65.25 125.39 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 100' ' ' LYS . 6.8 p-10 -33.78 -50.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.6 p -56.43 -65.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 104' ' ' ARG . 3.0 m120 -50.18 -53.8 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 103' ' ' ASN . 7.6 tmm_? -33.99 -59.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.98 82.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -43.52 -67.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.638 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 71.0 t80 -41.5 -61.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 mt -42.47 -53.91 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.3 m -56.74 -46.19 81.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.3 mtm -58.94 -52.81 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.48 ' SG ' ' CZ ' ' A' ' 107' ' ' PHE . 6.9 m -59.42 -43.79 92.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -42.54 -39.41 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' HIS . 9.4 ttt85 -93.77 -66.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' ARG . 15.2 m-70 -34.57 -56.12 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.576 ' CE1' HG12 ' A' ' 137' ' ' ILE . 20.5 m-85 -96.81 -59.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.08 166.74 13.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 t -59.82 -44.7 93.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.3 t -48.22 -46.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 83.0 t -67.84 -65.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -39.36 -56.44 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -40.46 -49.13 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 95.0 m -50.93 -41.63 59.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.3 mm -67.08 -24.73 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -73.54 -55.5 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.8 t -66.4 -23.84 66.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.71 117.47 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -68.57 174.45 4.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 66' ' ' GLU . 72.8 m -69.89 -59.64 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.6 OUTLIER -36.4 -42.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -50.35 -46.4 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 44.3 m-85 -52.05 156.08 2.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.76 164.91 78.02 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.34 0.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.6 mt -122.33 105.09 9.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -92.21 114.55 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.69 136.91 52.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.401 HG21 ' CB ' ' A' ' 166' ' ' ALA . 64.2 mt -106.39 113.88 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.576 HG12 ' CE1' ' A' ' 115' ' ' PHE . 4.8 mp -106.63 147.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.464 ' HE1' HD11 ' A' ' 147' ' ' LEU . 13.0 ttp -155.27 137.0 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 173.91 -157.8 26.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 142' ' ' SER . 0.5 OUTLIER -120.33 157.75 28.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 0.0 110.912 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -25.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 140' ' ' LYS . 36.2 t -64.91 -48.54 73.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.4 t -167.44 161.48 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -135.25 175.47 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -163.1 164.34 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.6 t -79.58 114.03 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.464 HD11 ' HE1' ' A' ' 138' ' ' MET . 2.6 mm? -82.08 -54.7 5.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -127.6 154.62 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 67.2 t -131.86 106.5 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.495 HD11 ' CB ' ' A' ' 162' ' ' ARG . 42.6 mt -106.98 144.48 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -105.42 149.99 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -53.15 -15.27 3.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.71 8.77 13.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.418 HG21 HG21 ' A' ' 150' ' ' ILE . 7.2 t -79.22 170.79 16.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 65.0 p -102.15 148.21 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.579 HG22 ' SD ' ' A' ' 77' ' ' MET . 86.5 t -46.41 -51.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -58.34 -50.88 72.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -49.8 -51.04 42.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.588 HD11 ' CE2' ' A' ' 73' ' ' PHE . 15.1 mt -45.83 -64.66 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 83' ' ' ILE . 18.0 tpp -48.5 -45.66 37.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.2 mmt -57.34 -50.51 72.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.495 ' CB ' HD11 ' A' ' 150' ' ' ILE . 10.4 mmt180 -50.96 -54.28 25.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.632 HD22 ' CD2' ' A' ' 91' ' ' PHE . 57.5 mt -43.53 -49.44 7.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.7 mtt -60.58 -37.7 82.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.64 67.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.401 ' CB ' HG21 ' A' ' 136' ' ' ILE . . . -89.42 -38.97 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.603 ' HA ' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -76.27 -32.19 58.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.85 -34.72 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.441 HG22 ' HG3' ' A' ' 173' ' ' GLN . 97.1 mt -73.89 -40.18 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -48.63 -56.75 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 43.0 p -58.3 -47.56 83.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -61.24 -26.03 67.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.441 ' HG3' HG22 ' A' ' 169' ' ' ILE . 10.2 mt-30 -73.7 -65.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -48.75 -48.5 40.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.68 122.0 24.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -149.5 124.95 10.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -114.01 -37.58 4.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.773 ' H ' HD12 ' A' ' 178' ' ' ILE . 4.8 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -98.5 13.0 33.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.14 17.74 4.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.64 134.19 47.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' GLU . 70.8 m-80 -97.06 -51.09 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' ASN . 2.5 mp0 -37.28 -54.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -37.86 -68.82 0.37 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.65 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -54.98 -50.27 69.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.24 -48.93 12.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' LEU . 58.3 mt -61.23 -55.44 31.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 15' ' ' ASP . 11.8 mt -33.96 -53.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -54.72 -50.77 67.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.96 -52.59 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.3 m -53.62 -42.96 68.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.62 -62.95 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.42 -48.06 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 3.1 t80 -53.34 -54.43 36.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -40.32 -65.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.9 m -60.85 -47.03 88.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -39.92 -63.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -94.67 -62.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.57 166.51 35.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -45.31 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.15 108.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -168.01 154.35 7.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.588 0.708 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 119.7 6.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.2 p -52.05 111.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.781 ' CD2' HG22 ' A' ' 93' ' ' THR . 65.6 m-85 -85.26 140.0 31.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 7.2 t80 -77.21 112.23 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.513 HD12 ' HG ' ' A' ' 18' ' ' LEU . 26.9 mm -71.48 113.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.35 -139.76 6.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.8 p -122.49 151.38 41.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.981 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 18.4 tp -43.55 -40.87 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -57.57 -62.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.3 -52.14 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.02 -52.07 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 63.7 m-85 -46.65 -48.89 19.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.562 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 54.8 mt-30 -55.56 -63.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' HG11 ' A' ' 50' ' ' VAL . 10.9 tp10 -60.38 -0.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -98.87 -47.68 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' CB ' ' HG3' ' A' ' 141' ' ' ARG . 17.6 m-85 -118.0 -30.33 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 45' ' ' GLN . 3.0 m-85 -76.89 17.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.988 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 46' ' ' GLU . 35.6 m -98.94 176.0 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -54.61 135.19 46.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.36 -25.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.2 mmt-85 -89.53 -39.55 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' O ' HG21 ' A' ' 50' ' ' VAL . 28.7 m-20 -83.91 16.87 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 26.7 mtp180 -56.78 129.83 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -135.41 175.0 9.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.764 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 52.7 mt -112.33 167.96 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.2 tp -107.77 136.73 47.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.98 122.68 21.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.1 mt -98.65 135.31 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -121.71 128.88 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD22 HD22 ' A' ' 98' ' ' LEU . 73.2 mt -106.5 130.98 54.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -106.46 128.75 54.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.6 t-80 -138.85 117.76 12.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' GLU . 13.5 t70 -64.58 -53.65 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.0 mm-40 -35.94 -44.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 t -57.13 159.64 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.3 m -105.23 -36.53 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.42 -33.84 76.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.0 m -52.11 -50.97 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -39.03 -65.16 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.612 HG23 ' N ' ' A' ' 73' ' ' PHE . 18.2 m -70.47 -55.3 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.612 ' N ' HG23 ' A' ' 72' ' ' VAL . 7.7 t80 -43.04 -21.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.0 t -73.1 -53.52 10.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.457 ' C ' ' HB2' ' A' ' 79' ' ' CYS . 24.8 p -96.86 0.33 49.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 93.7 mm-40 -105.88 -47.69 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.578 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -97.8 -55.73 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 10.2 mt -62.11 -17.38 57.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.457 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.3 m -103.16 18.0 22.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.429 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -86.78 103.01 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -43.53 -51.78 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.7 p -55.2 -37.94 67.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 29.7 mm -78.4 -70.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 20.2 m -42.43 -40.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 84' ' ' VAL . 41.0 t -58.95 -56.8 17.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.582 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 28.8 t80 -70.1 -58.38 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD13 ' HZ ' ' A' ' 134' ' ' PHE . 16.9 tp -41.73 -36.34 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 82.8 p -86.73 -50.76 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -61.45 -61.29 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.582 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 2.4 m-80 -73.07 -58.13 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.764 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -93.89 176.74 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.4 mm -105.02 132.07 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.781 HG22 ' CD2' ' A' ' 35' ' ' PHE . 66.6 m -89.23 114.66 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.981 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 11.1 t90 -139.09 116.4 11.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.88 159.6 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -157.93 115.53 3.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -79.16 104.62 9.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.404 ' HA ' ' CB ' ' A' ' 103' ' ' ASN . 1.5 pt? -112.13 11.81 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 m -44.54 -68.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -63.0 137.11 58.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -42.49 -50.29 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' ASP . 56.3 m -37.15 -50.69 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.404 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 28.0 m120 -83.79 -35.56 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -39.02 -47.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -74.82 -45.66 41.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' ALA . 9.7 mmt-85 -36.68 -43.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -81.43 -52.79 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -47.65 -64.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.4 m -39.92 -47.92 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 111' ' ' CYS . 1.8 mmt -59.8 -61.51 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.7 ' HB3' ' HB2' ' A' ' 120' ' ' ALA . 7.6 t -36.5 -55.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -40.78 -42.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' HIS . 3.0 ttp180 -90.72 -68.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' ARG . 2.5 m-70 -34.38 -65.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 137' ' ' ILE . 28.9 m-85 -94.18 -62.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.1 163.1 14.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 44.8 p -66.3 -46.11 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.1 m -51.61 -39.74 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.4 t -73.04 -56.88 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.7 ' HB2' ' HB3' ' A' ' 111' ' ' CYS . . . -51.26 -61.38 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -38.24 -51.91 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 88.2 m -43.63 -46.59 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.451 HD12 HD13 ' A' ' 133' ' ' LEU . 50.6 mm -55.61 -41.95 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.68 -45.55 89.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 70.0 p -66.67 -40.26 88.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -52.07 119.2 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -55.6 176.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 55.3 m -77.46 -55.98 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -39.16 -48.39 1.73 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -39.97 -44.15 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.527 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 14.6 m-85 -52.08 157.46 2.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.674 0.75 . . . . 0.0 110.837 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.72 146.89 83.35 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.385 -0.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.451 HD13 HD12 ' A' ' 123' ' ' ILE . 12.4 mt -92.43 119.01 31.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.484 ' HZ ' HD13 ' A' ' 87' ' ' LEU . 8.4 t80 -113.12 107.59 16.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.71 160.07 15.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.3 mt -124.29 108.06 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 115' ' ' PHE . 3.7 mp -95.78 104.45 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.467 ' HB3' HD13 ' A' ' 147' ' ' LEU . 5.5 ttp -97.91 -68.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.439 ' C ' ' HE3' ' A' ' 140' ' ' LYS . . . 37.22 -155.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.439 ' HE3' ' C ' ' A' ' 139' ' ' GLY . 0.0 OUTLIER -111.13 177.99 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.432 ' HG3' ' CB ' ' A' ' 48' ' ' PHE . 23.3 ttp180 -47.13 -41.42 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.9 m -97.51 -53.71 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.6 m -61.16 158.77 13.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.08 114.44 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -153.25 133.63 13.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.545 HG12 HG13 ' A' ' 137' ' ' ILE . 3.7 m -72.19 125.21 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 138' ' ' MET . 10.0 mp -83.82 -28.4 28.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -147.93 151.36 35.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.8 110.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.442 HG21 HG21 ' A' ' 154' ' ' THR . 24.9 mt -96.09 118.82 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -52.22 -58.27 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 150.93 -17.58 0.94 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -79.85 8.75 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.442 HG21 HG21 ' A' ' 150' ' ' ILE . 12.4 t -69.92 157.22 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 158' ' ' GLU . 16.8 p -95.06 137.04 34.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.604 ' HA ' HD12 ' A' ' 159' ' ' LEU . 63.1 t -39.51 -48.9 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.39 -38.95 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 155' ' ' THR . 19.6 mm-40 -71.2 -42.07 69.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 156' ' ' VAL . 37.9 mt -46.01 -59.02 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 38.8 tpp -45.69 -45.51 14.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -56.52 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -50.45 -52.25 39.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.79 -55.62 31.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.2 mmt -50.48 -45.62 56.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.9 -56.61 17.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.406 ' HB3' ' HZ ' ' A' ' 91' ' ' PHE . . . -40.36 -49.94 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.652 ' O ' HG22 ' A' ' 171' ' ' THR . 3.3 mmt -66.95 -60.85 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -41.82 -42.55 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 26.5 mt -70.4 -45.24 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.27 -63.69 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.754 HG23 ' H ' ' A' ' 172' ' ' ALA . 0.7 OUTLIER -41.99 -63.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.754 ' H ' HG23 ' A' ' 171' ' ' THR . . . -54.9 -47.69 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 174' ' ' GLN . 11.4 tt0 -46.79 -51.59 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 173' ' ' GLN . 9.6 mm-40 -36.0 -54.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -62.59 138.36 58.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 177' ' ' ASP . 5.9 pt-20 -73.68 -38.98 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 176' ' ' GLU . 5.3 t0 -95.96 -62.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 75.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -141.42 135.74 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.77 102.78 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -70.44 -3.92 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -65.48 -49.2 69.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -70.84 -46.45 62.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.1 -52.86 29.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.66 ' HA ' HD12 ' A' ' 18' ' ' LEU . 14.0 m-20 -55.35 -46.43 76.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.16 -45.45 61.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 95' ' ' ALA . 63.0 mt -69.09 -43.9 73.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 15' ' ' ASP . 9.4 mt -45.77 -23.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.48 -61.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 1.3 t80 -49.52 -39.53 34.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.484 HG23 ' HD2' ' A' ' 35' ' ' PHE . 97.8 m -57.3 -64.0 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.67 -47.7 50.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.74 -59.32 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -42.49 -37.22 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' GLY . 40.3 t -62.07 -61.12 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 m -59.0 -45.62 90.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -42.89 -60.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -96.91 -64.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' SER . . . -176.64 170.93 43.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 3.9 m-20 -60.18 -43.97 95.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -52.44 109.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 1.5 p80 -168.11 152.52 6.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.699 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.434 ' HB2' HG21 ' A' ' 93' ' ' THR . 54.3 Cg_endo -69.74 151.84 69.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.97 102.62 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.484 ' HD2' HG23 ' A' ' 21' ' ' THR . 89.0 m-85 -77.02 122.87 25.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.97 125.56 24.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.529 HD12 ' HG ' ' A' ' 18' ' ' LEU . 26.8 mm -89.22 117.31 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.88 -159.51 27.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.2 p -83.03 177.88 8.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.382 . . . . 0.0 110.831 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.436 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 9.3 tp -81.06 -41.77 22.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -53.49 -42.12 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.6 -53.24 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.669 ' HB1' HD13 ' A' ' 58' ' ' LEU . . . -40.77 -56.77 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.781 ' CE1' HD23 ' A' ' 58' ' ' LEU . 45.0 m-85 -46.79 -38.9 10.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 34.4 mt-30 -74.48 -61.58 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -46.9 -19.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.25 -51.24 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 5.0 m-85 -97.58 -65.14 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.466 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 3.3 m-85 -32.84 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 48' ' ' PHE . 17.8 m -59.77 171.77 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -57.36 164.07 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.35 -35.27 79.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -72.31 -21.61 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -107.65 11.39 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -65.44 139.96 58.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 89' ' ' GLN . 49.5 mtmt -155.73 177.87 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 22.7 mt -111.77 154.65 24.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.781 HD23 ' CE1' ' A' ' 44' ' ' PHE . 28.9 tp -104.4 154.09 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.552 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -147.67 114.24 6.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.21 129.55 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -114.54 113.79 24.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.983 HD12 ' HB2' ' A' ' 133' ' ' LEU . 52.3 mt -87.42 113.75 23.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -98.53 122.19 41.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 13.9 t-80 -129.19 142.88 50.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.67 -59.2 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 18.8 mm-40 -39.16 -44.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.5 t -55.64 157.34 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.2 m -108.31 -26.15 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 58.5 mt -80.2 12.32 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 m -85.51 -41.5 15.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.3 p-10 -73.36 -45.83 52.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 73' ' ' PHE . 33.3 m -68.96 -51.15 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.65 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 2.4 t80 -47.78 -48.71 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.685 ' CB ' HD12 ' A' ' 78' ' ' LEU . 32.1 p -77.35 -46.21 23.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 23.1 t -66.29 -14.53 62.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' VAL . 55.4 mm-40 -108.55 -38.56 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.672 ' SD ' HD11 ' A' ' 159' ' ' LEU . 12.7 mtt -100.75 -50.25 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.685 HD12 ' CB ' ' A' ' 74' ' ' CYS . 73.4 mt -80.97 17.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.401 ' HB3' ' C ' ' A' ' 75' ' ' SER . 6.7 p -104.83 -22.38 13.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -84.09 122.71 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 85' ' ' SER . 27.9 mm-40 -56.04 -40.33 73.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -60.17 -42.43 94.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.465 HG13 ' CG2' ' A' ' 156' ' ' VAL . 34.7 mm -68.17 -58.33 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.421 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 35.3 m -61.44 -26.86 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 28.6 t -74.51 -55.32 6.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.639 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 5.0 t80 -66.76 -41.91 87.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' PHE . 14.1 tp -61.28 -35.09 76.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.7 t -83.83 -37.06 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.425 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 8.9 mt-30 -76.6 -61.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.639 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 5.9 m-80 -67.24 -40.61 86.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.6 ' CG ' HD22 ' A' ' 163' ' ' LEU . 4.0 m-85 -116.96 165.5 13.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -95.18 116.29 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 33' ' ' PRO . 9.4 m -74.33 135.96 42.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.436 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 3.1 t90 -156.62 118.08 3.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.431 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -116.9 150.94 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -144.91 125.55 14.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -86.85 127.67 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 104' ' ' ARG . 4.9 mp -116.37 8.62 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.6 m -40.51 -62.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.18 125.56 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -40.18 -43.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.5 t -46.48 -52.08 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 104' ' ' ARG . 31.9 m120 -65.83 -52.76 47.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.831 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.599 ' HA ' HD23 ' A' ' 98' ' ' LEU . 20.6 ttp180 -37.53 -46.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.68 -47.84 61.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -43.48 -64.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.515 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 78.6 t80 -45.86 -58.33 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.7 mt -46.6 -39.14 10.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 95.1 m -73.26 -65.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.417 ' CG ' ' HA ' ' A' ' 107' ' ' PHE . 8.0 ptp -49.58 -29.38 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.65 -41.56 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.498 ' HA ' ' CA ' ' A' ' 116' ' ' GLY . 42.5 t-20 -73.03 -51.9 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -43.36 22.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -88.91 -70.55 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.47 ' CB ' HG11 ' A' ' 119' ' ' VAL . 18.6 m-85 -73.49 -69.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.498 ' CA ' ' HA ' ' A' ' 112' ' ' ASN . . . 147.06 177.96 22.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.7 t -73.18 -46.35 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.5 m -39.35 -36.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.47 HG11 ' CB ' ' A' ' 115' ' ' PHE . 3.0 p -91.59 -42.98 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.36 -46.8 66.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -48.3 -55.76 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 93.6 m -46.62 -46.01 19.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.46 HG21 ' HE2' ' A' ' 107' ' ' PHE . 26.8 mm -58.58 -41.51 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 124' ' ' ARG . 24.1 ttm105 -59.76 -46.58 88.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 56.8 p -66.68 -40.36 88.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -52.12 114.33 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -57.04 171.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.3 m -64.98 -57.23 9.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.8 OUTLIER -44.86 -48.49 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 129' ' ' ASP . 73.2 mm-40 -36.54 -33.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.545 ' CE2' HD13 ' A' ' 62' ' ' LEU . 5.3 m-85 -65.02 155.54 83.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.77 161.85 85.36 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.32 -0.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.983 ' HB2' HD12 ' A' ' 62' ' ' LEU . 18.4 mt -114.08 105.81 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.552 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 11.0 t80 -93.65 118.56 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.22 142.87 49.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 148' ' ' ASN . 67.2 mt -110.63 130.9 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 144' ' ' ASN . 4.8 mp -124.07 142.12 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.61 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 4.8 ttp -87.65 -41.82 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.594 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . 88.94 139.21 6.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.446 ' HA ' ' CE ' ' A' ' 140' ' ' LYS . 0.1 OUTLIER -154.24 162.2 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.888 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.7 tpt85 -62.33 -44.96 95.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.7 t -66.54 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.1 m -156.93 166.32 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.456 ' HB3' HG21 ' A' ' 137' ' ' ILE . 1.1 m120 -94.69 143.97 26.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -141.08 130.61 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 1.9 m -73.14 146.02 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.3 mp -107.78 -32.17 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASN . . . . . 0.473 ' HB2' HD12 ' A' ' 136' ' ' ILE . 3.8 m120 -135.85 142.41 44.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 91.9 t -127.61 105.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.61 HG21 HG21 ' A' ' 154' ' ' THR . 58.9 mt -96.54 120.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 132' ' ' PRO . 8.7 mp0 -62.04 -69.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 168.64 -23.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -81.03 16.53 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.61 HG21 HG21 ' A' ' 150' ' ' ILE . 11.2 t -75.11 161.88 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 48.1 p -99.07 143.92 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 83' ' ' ILE . 12.4 p -46.2 -38.45 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -60.35 -43.59 96.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 161' ' ' MET . 7.4 mm-40 -53.59 -48.27 69.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.672 HD11 ' SD ' ' A' ' 77' ' ' MET . 30.9 mt -45.41 -51.98 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 3.8 mmt -46.88 -57.52 4.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 158' ' ' GLU . 5.3 ptm -63.43 -36.21 82.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 161' ' ' MET . 35.6 mmt-85 -58.83 -41.53 87.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.6 HD22 ' CG ' ' A' ' 91' ' ' PHE . 65.4 mt -74.95 -48.38 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 13.5 mtt -58.96 -54.66 44.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 168' ' ' GLU . . . -54.19 -40.68 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -60.07 -28.05 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.4 mmt -74.89 -55.74 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 8.4 pt-20 -56.26 -37.27 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 86.1 mt -72.19 -58.35 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.501 ' CE1' ' HG2' ' A' ' 174' ' ' GLN . 2.1 t80 -38.82 -63.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 30.3 p -43.63 -53.69 5.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.9 81.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -65.81 -55.25 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.501 ' HG2' ' CE1' ' A' ' 170' ' ' PHE . 0.0 OUTLIER -65.68 152.35 44.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 175' ' ' GLN . . . . . 0.408 ' H ' ' CD ' ' A' ' 175' ' ' GLN . 0.1 OUTLIER -106.93 159.43 16.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -153.9 109.55 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -74.84 -50.88 15.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.843 0.354 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -95.5 -61.36 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.54 108.38 13.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -117.84 119.28 34.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -79.36 -63.54 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.58 ' OE2' ' CZ3' ' A' ' 96' ' ' TRP . 6.6 mm-40 -39.2 -49.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.18 -69.32 0.91 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.644 ' HA ' HD12 ' A' ' 18' ' ' LEU . 39.0 t0 -45.1 -43.2 9.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.38 89.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 21' ' ' THR . 66.0 mt -70.45 -40.72 73.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 15' ' ' ASP . 13.7 mt -50.23 -45.98 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -61.8 -45.56 93.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -62.1 -35.63 79.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.684 HG22 ' HD2' ' A' ' 35' ' ' PHE . 43.7 p -70.65 -53.61 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.6 -36.47 66.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -78.64 -41.59 31.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.5 t80 -56.77 -52.1 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' GLY . 11.0 p -48.34 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 m -56.85 -51.92 67.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -39.72 -61.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -95.42 -65.54 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 178.89 170.74 41.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -64.1 -44.12 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 103.64 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -167.74 152.76 6.71 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.612 0.72 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.52 6.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.531 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 31.1 m -52.56 173.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.684 ' HD2' HG22 ' A' ' 21' ' ' THR . 20.9 m-85 -141.37 132.95 27.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.17 115.72 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.511 HD12 ' HG ' ' A' ' 18' ' ' LEU . 39.9 mm -72.82 102.68 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.17 -172.97 35.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.1 t -89.23 156.22 18.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.648 HD11 HD21 ' A' ' 58' ' ' LEU . 25.0 tp -57.7 -46.07 84.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -46.69 -40.09 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -77.18 -56.9 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -37.49 -37.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE2' ' HG ' ' A' ' 40' ' ' LEU . 20.7 m-85 -56.94 -46.31 82.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 5.0 pt20 -56.65 -51.32 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' O ' HG11 ' A' ' 50' ' ' VAL . 6.7 tt0 -53.6 -17.84 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.1 -47.21 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 139' ' ' GLY . 0.9 OUTLIER -97.89 -68.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 7.2 m-85 -33.8 -34.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 46' ' ' GLU . 18.5 m -56.99 173.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HE2' ' NH2' ' A' ' 53' ' ' ARG . 13.9 mtpp -52.7 150.18 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -27.29 68.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' NH2' ' HE2' ' A' ' 51' ' ' LYS . 30.3 mtm105 -86.57 -42.11 13.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -80.99 12.94 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 27.2 mtt-85 -54.71 169.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 33.6 mtmt -165.27 174.83 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.725 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 79.4 mt -112.4 163.59 14.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.648 HD21 HD11 ' A' ' 40' ' ' LEU . 33.4 tp -108.36 154.87 21.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -148.15 106.88 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.6 mt -83.84 132.34 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.513 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 67.0 t80 -117.27 102.16 9.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 133' ' ' LEU . 45.6 mt -83.02 112.42 19.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -88.22 147.48 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.0 t-80 -157.85 124.68 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.79 -55.28 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 20.4 mt-10 -37.55 -49.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -52.73 159.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 69' ' ' LEU . 30.8 m -98.01 -41.23 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.166 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 68' ' ' VAL . 15.1 mt -61.01 -26.49 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 64' ' ' HIS . 97.2 m -60.62 -46.22 91.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -52.36 -57.38 9.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.72 HG23 ' H ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -69.83 -69.04 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.72 ' H ' HG23 ' A' ' 72' ' ' VAL . 5.5 t80 -34.25 -32.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.5 m -58.46 -61.66 2.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.417 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 88.2 p -96.38 1.04 51.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -97.93 -54.47 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.582 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -89.02 -72.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 94.0 mt -40.83 -22.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.1 m -80.77 16.82 1.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -89.68 103.36 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -51.05 -22.69 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.9 p -83.24 -44.54 14.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 51.1 mm -69.4 -44.45 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.452 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 12.0 m -65.45 -18.29 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -92.8 -50.56 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 90' ' ' ASN . 5.8 t80 -72.49 -29.85 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 83' ' ' ILE . 63.0 tp -62.53 -36.77 83.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.1 p -92.76 -41.0 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.15 -48.5 81.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.498 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 9.4 m-80 -93.06 -51.41 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.725 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -100.19 178.15 4.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.7 mm -109.08 121.06 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -73.13 131.32 41.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.462 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 16.3 t90 -157.94 108.15 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.65 151.99 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CZ3' ' OE2' ' A' ' 13' ' ' GLU . 73.4 t-105 -149.82 104.85 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.5 107.99 4.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -113.3 9.4 18.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.2 m -45.24 -61.36 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.5 154.2 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.33 -44.03 97.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 m -53.43 -60.54 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 104' ' ' ARG . 55.9 m-80 -64.14 -44.47 92.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -34.35 -56.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.42 -35.39 60.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.33 -43.18 53.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.42 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 5.4 t80 -60.92 -45.9 92.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.61 -36.1 61.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.0 m -59.13 -26.36 64.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.3 mtt -87.02 -51.03 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.498 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 12.2 p -51.36 -24.63 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 117' ' ' SER . 30.9 t30 -85.96 -59.34 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -36.49 56.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.496 ' CD2' HD23 ' A' ' 40' ' ' LEU . 88.2 m-70 -80.86 -68.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.481 ' CE1' HG12 ' A' ' 137' ' ' ILE . 5.7 m-85 -81.79 -66.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.33 178.88 25.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.428 ' N ' ' OD1' ' A' ' 112' ' ' ASN . 3.8 m -73.94 -52.81 11.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 117' ' ' SER . 88.0 t -36.79 -52.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.626 HG13 ' N ' ' A' ' 120' ' ' ALA . 8.0 p -76.24 -52.79 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.626 ' N ' HG13 ' A' ' 119' ' ' VAL . . . -39.38 -28.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 119' ' ' VAL . 51.6 tt0 -68.39 -50.04 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.2 t -37.72 -36.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.9 mt -77.23 -49.96 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -42.61 -35.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 71.7 p -76.46 -37.89 56.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.437 ' CB ' HD11 ' A' ' 133' ' ' LEU . 29.1 mm-40 -54.86 118.5 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -64.74 178.2 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 66' ' ' GLU . 16.6 m -76.37 -46.06 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.9 -36.54 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -60.97 -42.0 97.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 17.7 m-85 -52.06 156.78 2.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.8 Cg_endo -69.74 148.81 87.44 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.367 -0.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.569 ' HB2' HD12 ' A' ' 62' ' ' LEU . 12.3 mt -98.38 106.66 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.459 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.3 t80 -95.61 107.4 19.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.89 167.29 9.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 48.1 mt -133.63 118.91 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.481 HG12 ' CE1' ' A' ' 115' ' ' PHE . 3.6 mp -112.89 148.25 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.533 ' HB2' HD11 ' A' ' 147' ' ' LEU . 2.9 ttt -91.39 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 115.28 134.24 5.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 142' ' ' SER . 40.4 mttt -149.53 124.53 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.21 -25.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 140' ' ' LYS . 12.3 t -86.5 -66.45 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 5.5 m -156.62 123.33 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 1.2 p30 -68.03 161.31 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.402 ' O ' HG23 ' A' ' 137' ' ' ILE . 0.3 OUTLIER -150.72 158.66 44.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 67.1 t -93.97 125.75 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 138' ' ' MET . 35.9 mt -86.21 -67.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -109.0 154.98 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 71.6 t -131.72 115.6 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.514 HG21 HG21 ' A' ' 154' ' ' THR . 55.8 mt -105.05 125.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.25 -57.07 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 149.87 -24.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -72.05 -1.99 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.514 HG21 HG21 ' A' ' 150' ' ' ILE . 13.3 t -59.79 159.85 8.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.5 p -107.6 153.26 23.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.561 ' HA ' HD12 ' A' ' 159' ' ' LEU . 66.2 t -42.37 -51.38 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -48.67 -51.56 27.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -58.18 -44.57 88.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 156' ' ' VAL . 36.8 mt -51.92 -46.19 64.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.443 ' CE ' HD13 ' A' ' 83' ' ' ILE . 8.5 mmt -50.36 -49.91 52.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.2 mtt -60.84 -58.77 7.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -43.81 -61.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.93 -54.84 41.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.6 mmm -42.86 -60.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 167' ' ' MET . . . -53.25 -64.49 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' A' ' 169' ' ' ILE . . . -34.82 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 165' ' ' ALA . 4.7 tmm? -70.06 -67.37 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 1.4 pp20? -50.71 -36.36 35.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 166' ' ' ALA . 92.9 mt -52.6 -39.89 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 7.5 t80 -77.12 -58.48 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 8.8 m -44.14 -24.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -86.74 -51.32 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.491 ' HG3' ' N ' ' A' ' 174' ' ' GLN . 3.1 pt20 -53.87 -44.22 70.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.491 ' N ' ' HG3' ' A' ' 173' ' ' GLN . 16.0 pt20 -66.65 158.83 29.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -115.73 161.85 18.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -91.44 -45.31 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.63 -55.97 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.47 165.59 11.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.44 136.03 33.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -102.54 118.75 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -91.69 -52.73 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.12 -50.28 55.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.87 -58.93 5.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.73 -50.07 73.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.8 43.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' LEU . 88.4 mt -65.46 -54.36 29.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' LEU . 27.8 mt -36.34 -54.93 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -55.22 -44.77 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' LEU . 42.0 t80 -62.93 -51.23 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -61.67 -64.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.42 -41.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -79.68 -37.81 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -59.33 -40.95 87.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -53.14 -54.85 29.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -73.14 -35.21 66.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -41.68 -63.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.566 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 5.1 m-85 -98.16 -42.56 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 159.04 146.8 4.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -41.27 -47.54 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 m -52.09 103.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -168.36 153.51 6.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.573 0.702 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.99 8.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 34' ' ' VAL . 13.9 p -56.79 114.55 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD1' HG22 ' A' ' 93' ' ' THR . 76.4 m-85 -88.42 135.3 33.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.29 118.71 9.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.4 mm -82.02 109.33 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.43 -155.54 26.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -94.17 143.41 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.733 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 11.9 tp -50.26 -50.82 48.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.08 -47.95 4.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . -54.55 -54.76 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.725 ' HB1' HD13 ' A' ' 58' ' ' LEU . . . -34.09 -36.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' ALA . 62.8 m-85 -67.5 -57.87 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 16.7 pt20 -61.0 -40.38 93.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 45' ' ' GLN . 4.0 tp10 -62.09 -8.26 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.57 -40.18 3.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 49' ' ' TYR . 19.8 m-85 -98.03 -70.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.513 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 7.5 m-85 -33.55 -40.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 54' ' ' ASP . 31.8 m -52.22 162.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -56.18 174.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.13 -33.02 71.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -71.47 -19.88 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.428 ' O ' HG21 ' A' ' 50' ' ' VAL . 10.8 t70 -110.01 17.77 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -64.25 134.5 54.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 9.2 mtmp? -153.86 177.94 10.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.476 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 85.7 mt -112.44 168.51 9.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.725 HD13 ' HB1' ' A' ' 43' ' ' ALA . 24.9 tp -107.49 140.15 40.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB3' HD11 ' A' ' 87' ' ' LEU . . . -133.19 110.18 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.2 mt -89.12 134.16 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.518 ' CE2' HD11 ' A' ' 78' ' ' LEU . 31.3 t80 -121.44 106.96 11.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.758 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 55.4 mt -84.61 118.72 24.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.476 ' CE1' HG21 ' A' ' 70' ' ' THR . 50.2 t-80 -101.77 136.63 41.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 1.6 t-80 -143.31 106.32 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 17.9 t0 -54.67 -61.27 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 31.7 mm-40 -33.99 -44.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 t -56.02 156.28 5.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.8 m -98.48 -29.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.4 mt -68.08 -42.06 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.476 HG21 ' CE1' ' A' ' 63' ' ' HIS . 58.0 m -48.74 -32.3 8.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -67.91 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.588 HG23 ' N ' ' A' ' 73' ' ' PHE . 16.4 m -62.42 -55.24 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.601 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 9.1 t80 -43.53 -26.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.566 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 14.2 t -61.6 -60.16 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.3 p -94.52 -1.29 53.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -88.53 -56.12 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.678 ' HG2' HG22 ' A' ' 156' ' ' VAL . 11.8 mtt -111.3 -34.73 6.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.518 HD11 ' CE2' ' A' ' 61' ' ' TYR . 10.1 mt -79.25 16.15 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.7 p -99.62 -33.42 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -54.04 116.96 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' HA ' HG22 ' A' ' 84' ' ' VAL . 31.6 mt-10 -65.32 -41.74 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 t -56.58 -34.66 67.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.4 mt -80.71 -68.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 80' ' ' ALA . 29.1 m -43.45 -23.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 t -90.13 -50.88 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.508 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 t80 -58.59 -42.32 87.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 91' ' ' PHE . 16.2 tp -59.1 -36.6 75.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.5 p -82.63 -35.72 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -71.99 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 5.3 m-80 -74.85 -51.57 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.491 ' HB2' HD12 ' A' ' 87' ' ' LEU . 3.9 m-85 -100.05 178.4 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.413 HD11 ' NZ ' ' A' ' 56' ' ' LYS . 35.0 mm -109.68 109.6 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.545 HG22 ' CD1' ' A' ' 35' ' ' PHE . 24.0 m -75.29 131.13 40.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.733 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 62.3 t90 -147.16 125.66 12.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.542 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -115.39 153.4 31.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.525 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 76.1 t-105 -149.25 102.59 3.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 4.3 p-10 -68.44 105.15 2.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 104' ' ' ARG . 2.0 pt? -110.8 17.63 20.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.9 m -49.69 -47.56 50.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -66.99 127.99 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.47 -47.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.3 m -49.69 -57.39 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.444 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 33.9 m120 -60.56 -51.45 69.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.626 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.4 ttt180 -43.14 -45.78 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.93 80.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -50.1 -57.16 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.758 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 72.0 t80 -49.84 -45.28 50.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.409 ' HA ' ' SG ' ' A' ' 111' ' ' CYS . 11.1 mt -70.6 -24.47 62.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 52.5 m -79.63 -35.35 39.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 113' ' ' ARG . 23.8 ptm -80.64 -50.28 10.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 108' ' ' LEU . 22.9 p -38.95 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' MET . 17.2 t-20 -75.44 -41.72 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 110' ' ' MET . 13.2 mmt180 -76.19 -37.92 57.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.07 -69.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -78.18 -68.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.81 -173.87 25.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.3 t -75.42 -55.18 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.397 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.531 HG23 HG23 ' A' ' 119' ' ' VAL . 23.9 m -40.05 -41.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.531 HG23 HG23 ' A' ' 118' ' ' VAL . 95.5 t -82.95 -59.22 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 119' ' ' VAL . . . -34.21 -37.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 119' ' ' VAL . 1.2 tm0? -58.04 -50.28 73.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 119' ' ' VAL . 1.2 t -46.09 -28.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.471 HD13 ' HE2' ' A' ' 107' ' ' PHE . 62.6 mt -90.26 -47.25 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -42.86 -39.81 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 77.4 p -71.39 -40.24 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.513 ' OE1' ' NE2' ' A' ' 151' ' ' GLN . 23.7 mm-40 -52.05 128.4 24.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.432 ' H ' ' CG ' ' A' ' 130' ' ' GLN . 5.6 mmmm -90.86 178.14 6.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.4 HG23 ' NE2' ' A' ' 64' ' ' HIS . 95.0 m -58.13 -48.51 80.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.8 OUTLIER -55.86 -50.88 69.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.432 ' CG ' ' H ' ' A' ' 127' ' ' LYS . 5.9 mm100 -36.42 -45.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.536 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 80.1 m-85 -52.39 154.63 4.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.75 -177.08 13.76 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.336 -0.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.508 ' HB2' HD12 ' A' ' 62' ' ' LEU . 12.3 mt -134.68 108.23 7.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -93.77 109.54 21.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.55 154.06 28.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.2 mt -114.93 111.53 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.736 HD13 HG12 ' A' ' 146' ' ' VAL . 13.9 mm -92.28 133.66 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.51 ' HE3' ' HA ' ' A' ' 170' ' ' PHE . 1.8 tmt? -157.89 122.98 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 154.65 -149.67 21.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -99.81 177.49 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -58.86 -29.63 67.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 141' ' ' ARG . 58.0 p -109.6 -35.89 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 9.1 t -79.14 11.24 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -52.37 113.88 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -144.15 135.41 25.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.736 HG12 HD13 ' A' ' 137' ' ' ILE . 3.2 m -72.35 120.7 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.33 -34.25 65.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -142.95 152.2 41.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 100.0 t -130.73 114.17 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 20.3 mt -99.64 123.28 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.513 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 7.8 mm-40 -62.48 -63.34 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 161.99 -23.81 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.435 ' C ' ' OD1' ' A' ' 153' ' ' ASN . 5.6 p30 -81.74 15.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 15.2 t -65.99 172.34 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.8 p -105.03 143.08 33.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.68 ' HA ' HD12 ' A' ' 159' ' ' LEU . 59.4 t -46.57 -51.49 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -54.03 -44.84 71.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -55.95 -47.02 78.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 156' ' ' VAL . 26.9 mt -45.33 -55.87 5.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 1.6 mmt -50.33 -48.77 55.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 10.2 mtm -60.77 -46.69 89.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -49.73 -54.45 18.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.29 -60.62 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 23.6 mmm -43.88 -53.37 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 166' ' ' ALA . . . -55.91 -60.66 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.63 -36.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 165' ' ' ALA . 82.2 mmm -67.89 -68.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 8.8 pt-20 -48.48 -41.01 28.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.468 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 78.7 mt -60.49 -52.23 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.538 ' CZ ' ' HG3' ' A' ' 174' ' ' GLN . 11.8 t80 -40.3 -61.77 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.5 m -41.87 -51.24 4.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -63.1 -48.38 78.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -53.55 -47.53 69.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 170' ' ' PHE . 54.0 mm-40 -62.8 147.56 49.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -52.67 152.0 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -122.54 110.55 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -55.05 -54.02 48.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 49.7 mm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -114.78 169.23 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.35 107.04 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -69.79 105.64 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -52.91 -50.84 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.01 -43.79 74.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' ASP . . . -39.68 -71.02 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.9 m-20 -35.33 -52.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.84 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.65 -56.91 13.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 17' ' ' LEU . 32.1 mt -55.45 -43.21 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 mt -49.74 -44.28 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -61.94 -48.24 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.53 -44.95 96.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -63.61 -42.2 98.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.22 -51.86 58.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 53.0 mm-40 -64.17 -47.21 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -57.63 -46.21 84.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 t -43.51 -57.03 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -71.78 -49.55 37.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 17.8 mtt85 -42.47 -57.9 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.539 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 40.5 m-85 -92.37 -65.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.83 165.81 31.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.01 -36.35 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -63.24 107.14 1.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -167.36 155.1 8.5 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.595 0.712 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.786 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.3 Cg_endo -69.82 132.29 22.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.371 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.0 t -57.98 102.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.692 ' CD1' HG22 ' A' ' 93' ' ' THR . 78.4 m-85 -78.12 123.36 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -62.72 110.47 1.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -71.84 102.23 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.35 -164.41 37.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.1 p -93.14 162.67 13.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.8 -41.58 57.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -71.92 -49.07 40.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.53 -48.77 27.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.12 76.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.641 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 10.2 m-85 -46.94 -33.81 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 83.6 mt-30 -64.86 -58.98 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.55 -16.87 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.7 -50.39 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 139' ' ' GLY . 7.2 m-85 -97.98 -65.18 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.477 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 4.7 m-85 -33.07 -38.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.792 HG21 ' O ' ' A' ' 54' ' ' ASP . 13.9 m -52.2 178.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.139 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -77.87 148.89 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' N ' ' HG3' ' A' ' 51' ' ' LYS . . . -39.48 -42.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -69.05 -33.87 74.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.792 ' O ' HG21 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -95.68 18.06 13.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 37.5 mtp85 -67.27 149.44 50.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HE3' HD11 ' A' ' 92' ' ' ILE . 27.3 mtmt -162.08 175.56 11.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.937 HD22 ' HA ' ' A' ' 138' ' ' MET . 80.5 mt -114.09 154.06 28.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.641 HD23 ' CZ ' ' A' ' 44' ' ' PHE . 12.0 tp -106.47 153.38 22.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' N ' ' HG ' ' A' ' 58' ' ' LEU . . . -148.28 112.84 5.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 137' ' ' ILE . 5.2 mp -84.13 124.71 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -107.32 102.22 11.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 133' ' ' LEU . 84.7 mt -67.37 135.33 53.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -125.52 115.46 20.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 131' ' ' PHE . 12.4 t-80 -118.18 102.73 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.87 -55.91 14.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 12.5 mt-10 -38.3 -37.21 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.43 ' HA ' HG22 ' A' ' 128' ' ' THR . 44.7 t -65.53 158.21 27.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -98.1 -22.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 30.7 mt -77.61 -10.58 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -63.56 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.505 ' ND2' HG13 ' A' ' 72' ' ' VAL . 1.3 p-10 -44.28 -48.02 9.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.634 HG23 ' H ' ' A' ' 73' ' ' PHE . 13.0 m -70.39 -56.94 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.634 ' H ' HG23 ' A' ' 72' ' ' VAL . 11.7 t80 -53.39 -15.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.505 ' CB ' ' CE2' ' A' ' 28' ' ' TYR . 14.8 m -77.68 -54.04 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.416 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 57.5 p -95.77 -3.59 45.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' VAL . 45.0 mm-40 -101.06 -49.23 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.588 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.45 -69.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 10.5 mt -41.43 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -81.93 17.96 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -81.84 102.11 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.21 -37.22 82.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.5 m -68.35 -31.66 71.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.484 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 81.6 mt -81.97 -68.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 85' ' ' SER . 29.3 m -37.29 -41.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 84' ' ' VAL . 56.4 p -60.37 -55.28 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -72.08 -59.41 2.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' PHE . 14.9 tp -42.32 -32.13 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.7 t -90.32 -35.62 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -69.85 -57.82 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -81.74 -45.92 14.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.475 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.3 m-85 -104.87 175.85 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.478 HD11 ' HE3' ' A' ' 56' ' ' LYS . 51.3 mm -109.45 123.76 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.786 HG21 ' HB2' ' A' ' 33' ' ' PRO . 18.3 m -78.71 117.64 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -142.72 116.29 9.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -115.66 156.41 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -144.36 139.3 28.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.4 122.52 38.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.662 HD11 HD22 ' A' ' 62' ' ' LEU . 5.4 mp -100.85 -21.82 15.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' LEU . 15.5 m -33.05 -44.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -70.06 118.88 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -51.11 -58.33 6.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 p -46.49 -33.94 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 106' ' ' ARG . 1.9 m-80 -77.93 -50.5 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 103' ' ' ASN . 12.2 ttp180 -33.92 -53.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.22 -45.19 91.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ASN . 47.1 mtp85 -47.36 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.54 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 90.7 t80 -40.86 -54.27 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 40.9 mt -55.45 -41.49 72.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.3 m -70.94 -65.34 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 9.0 ptt? -49.04 -43.27 40.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 107' ' ' PHE . 16.1 m -52.28 -60.32 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.42 ' HA ' ' CA ' ' A' ' 116' ' ' GLY . 1.5 t30 -38.94 -40.06 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -43.84 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 111' ' ' CYS . 16.4 m170 -95.92 -67.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.752 ' CB ' HG11 ' A' ' 119' ' ' VAL . 1.8 m-85 -65.91 -68.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.42 ' CA ' ' HA ' ' A' ' 112' ' ' ASN . . . 143.14 -176.55 22.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.0 p -79.28 -48.85 13.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.7 t -48.98 -54.58 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.752 HG11 ' CB ' ' A' ' 115' ' ' PHE . 5.0 p -59.95 -47.92 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.489 ' N ' HG13 ' A' ' 119' ' ' VAL . . . -54.18 -57.37 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -38.51 -57.73 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.9 m -46.24 -41.72 13.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.8 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -29.53 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.7 p -81.44 4.91 19.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -84.55 109.4 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -53.2 170.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.43 HG22 ' HA ' ' A' ' 67' ' ' SER . 36.3 m -61.02 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.4 OUTLIER -37.52 -50.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' ASP . 29.4 mm100 -36.84 -54.55 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.537 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 80.4 m-85 -52.23 154.77 3.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.79 -177.19 14.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.329 0.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.763 ' HB2' HD12 ' A' ' 62' ' ' LEU . 77.9 mt -143.04 104.84 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -90.93 119.19 30.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.02 146.55 40.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 57.0 mt -114.96 127.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.446 HD13 HD12 ' A' ' 60' ' ' ILE . 5.0 mp -122.07 134.96 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.937 ' HA ' HD22 ' A' ' 57' ' ' LEU . 4.3 ptt? -116.81 -32.36 5.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.603 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . . . -46.47 174.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 143' ' ' SER . 7.2 mtmp? -105.91 178.28 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 142' ' ' SER . 26.2 ptt-85 -44.33 -46.84 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 1.5 t -64.4 -65.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 140' ' ' LYS . 19.9 m -105.32 122.92 46.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -130.62 135.92 48.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -156.37 144.02 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 146' ' ' VAL . 2.9 m -79.62 120.13 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 147' ' ' LEU . 2.5 mm? -72.78 -35.94 67.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -146.8 152.21 38.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.17 106.38 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.883 HD13 HD23 ' A' ' 159' ' ' LEU . 19.9 mt -92.1 139.88 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -77.69 -51.84 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 138.95 -25.3 2.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -75.38 0.8 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.958 0.408 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.3 t -73.87 171.23 13.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.167 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 67.4 p -87.76 136.89 32.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.558 ' HA ' HD12 ' A' ' 159' ' ' LEU . 12.8 p -42.36 -33.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.32 -43.18 78.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -54.44 -45.0 72.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.883 HD23 HD13 ' A' ' 150' ' ' ILE . 23.3 mt -47.59 -46.61 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 33.5 tpp -48.66 -58.04 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 162' ' ' ARG . 10.4 mtt -51.18 -56.63 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.693 ' HG3' HD11 ' A' ' 150' ' ' ILE . 11.9 mmp_? -36.58 -51.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 23.5 mt -57.5 -55.54 33.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.5 mmt -51.04 -50.56 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -42.85 -49.41 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.21 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 55.4 mmm -71.77 -56.36 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.641 ' O ' HG22 ' A' ' 171' ' ' THR . 9.2 mm-40 -47.47 -40.97 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 69.8 mt -77.21 -50.81 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 170' ' ' PHE . 2.1 t80 -44.45 -52.73 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 168' ' ' GLU . 4.3 t -51.73 -27.98 13.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -90.32 -36.56 14.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.543 ' HG2' ' HE3' ' A' ' 138' ' ' MET . 0.1 OUTLIER -61.78 -42.4 98.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -59.0 161.02 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -100.51 130.68 46.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -70.99 -56.18 6.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -53.62 -61.3 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 18.5 mm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -115.27 172.62 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.53 164.36 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -81.5 15.55 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' GLU . 68.2 m-20 -57.1 -57.38 12.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -34.75 -49.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.87 -63.85 1.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -39.99 -58.49 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.1 -48.26 22.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.12 -53.89 46.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 mt -40.33 -40.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.67 -43.91 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 1.1 t80 -67.23 -42.85 83.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.2 p -57.57 -53.85 53.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -60.6 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 20' ' ' PHE . 22.3 pt-20 -52.73 -41.45 64.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.1 t80 -63.3 -45.68 90.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 t -47.12 -51.26 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -76.62 -46.67 25.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -47.65 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 52.7 m-85 -90.43 -67.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.05 -167.79 40.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -101.24 0.78 38.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' HG11 ' A' ' 84' ' ' VAL . 10.4 m -81.8 18.0 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.32 153.43 40.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.3 Cg_endo -69.77 139.7 40.84 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.658 2.238 . . . . 0.0 112.327 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.94 114.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 73.7 m-85 -85.19 140.16 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 t80 -73.96 120.52 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -81.35 115.45 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.35 -157.74 27.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.0 t -97.09 152.48 18.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.821 HD23 ' CD2' ' A' ' 114' ' ' HIS . 66.1 tp -51.86 -45.46 64.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -42.43 -48.75 5.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -65.01 -55.03 21.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -36.09 -29.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' ALA . 34.0 m-85 -71.53 -57.24 4.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -54.9 -38.28 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -63.21 -12.64 29.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.91 -57.34 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' VAL . 9.3 m-85 -94.45 -70.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.47 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 25.9 m-85 -34.74 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.513 HG22 ' H ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -52.08 170.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.513 ' H ' HG22 ' A' ' 50' ' ' VAL . 23.0 tttp -52.36 149.31 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.5 -42.78 74.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -76.79 -38.33 54.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.472 ' O ' HG11 ' A' ' 50' ' ' VAL . 2.2 m-20 -83.06 17.39 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 15.7 mtm180 -58.65 143.07 47.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -147.21 174.79 11.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.788 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 98.3 mt -112.93 170.52 8.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 44' ' ' PHE . 16.7 tp -119.51 138.47 53.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.57 114.6 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.456 HG12 HD13 ' A' ' 137' ' ' ILE . 26.5 mm -79.62 138.64 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -132.67 124.88 29.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.782 HD11 HD13 ' A' ' 123' ' ' ILE . 42.0 mt -102.84 117.3 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.422 ' CE1' HG21 ' A' ' 70' ' ' THR . 20.8 t-80 -98.0 136.07 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.4 t-80 -143.5 118.75 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.2 -53.88 46.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 12.9 mm-40 -44.23 -47.5 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -58.45 117.32 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -62.26 -30.29 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD13 ' C ' ' A' ' 152' ' ' GLY . 13.4 mt -58.35 -43.78 88.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.422 HG21 ' CE1' ' A' ' 63' ' ' HIS . 92.5 m -56.22 -43.37 78.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -46.11 -58.32 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.641 HG23 ' N ' ' A' ' 73' ' ' PHE . 29.7 m -75.46 -54.47 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.641 ' N ' HG23 ' A' ' 72' ' ' VAL . 6.2 t80 -38.93 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' CE2' ' A' ' 28' ' ' TYR . 2.4 m -67.55 -51.19 53.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.472 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 17.0 m -95.34 -1.24 51.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' VAL . 90.6 mm-40 -105.59 -47.48 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.599 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.99 -51.51 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 68.3 mt -77.54 17.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 75' ' ' SER . 10.3 p -103.23 -34.08 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -56.62 102.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -56.17 -40.32 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 m -62.97 -44.42 96.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 45.1 mt -68.27 -64.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 31' ' ' CYS . 20.8 m -44.23 -33.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.0 m -78.05 -44.37 26.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -62.25 -43.69 98.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 91' ' ' PHE . 6.3 tp -64.87 -51.89 59.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 99.4 p -61.99 -43.88 97.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -61.1 -61.32 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -75.45 -62.27 1.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.788 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -86.33 176.67 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.0 mm -111.01 105.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.539 HG21 ' HB2' ' A' ' 33' ' ' PRO . 22.1 m -69.73 124.54 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.563 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 7.7 t90 -142.51 108.4 5.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -100.47 156.76 17.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -154.03 112.83 3.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -79.04 108.93 12.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.513 HD22 HD22 ' A' ' 62' ' ' LEU . 1.8 pt? -109.35 17.37 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 59.8 m -49.31 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 146.9 27.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 102' ' ' SER . 20.0 p-10 -52.71 -54.17 37.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 101' ' ' ASP . 10.7 t -35.59 -62.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' ARG . 28.3 m-20 -67.97 -44.46 76.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ASN . 32.5 ttt85 -35.68 -59.86 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.98 41.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -38.42 -58.42 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.448 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 18.0 t80 -49.13 -52.32 26.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.6 -44.92 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.8 m -57.65 -53.69 55.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 11.9 ptp -64.12 -36.5 84.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 110' ' ' MET . 4.1 t -53.07 -39.77 63.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 117' ' ' SER . 39.8 t-20 -62.89 -33.16 74.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -82.45 -56.54 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.821 ' CD2' HD23 ' A' ' 40' ' ' LEU . 29.2 m-70 -54.44 -68.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.572 ' CE1' HG12 ' A' ' 137' ' ' ILE . 18.6 m-85 -94.18 -68.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.414 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 161.62 160.12 10.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.507 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.464 ' HB3' ' ND2' ' A' ' 112' ' ' ASN . 27.1 p -54.07 -46.87 72.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 110.878 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.4 t -42.4 -55.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.3 t -54.6 -57.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -44.17 -54.84 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.044 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -49.35 -41.3 38.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 39.4 m -52.25 -40.73 62.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.782 HD13 HD11 ' A' ' 62' ' ' LEU . 78.3 mt -81.26 -42.28 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -57.7 -40.33 79.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.4 t -70.07 -28.77 65.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -63.28 150.91 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -80.66 163.86 23.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 42.2 m -59.64 -54.51 45.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.4 OUTLIER -50.03 -49.93 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 129' ' ' ASP . 67.3 mm-40 -34.16 -43.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.52 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 41.6 m-85 -52.09 156.28 2.79 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.638 0.733 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.6 Cg_endo -69.75 -177.27 14.16 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.72 -1.784 . . . . 0.0 112.353 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.676 ' HB2' HD12 ' A' ' 62' ' ' LEU . 19.3 mt -133.62 108.72 8.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -96.22 110.23 22.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.5 mp -112.39 153.35 27.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.472 HD12 ' HB2' ' A' ' 148' ' ' ASN . 62.2 mt -124.43 122.27 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 137' ' ' ILE . 3.9 mp -107.88 137.31 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.465 ' SD ' ' CD2' ' A' ' 57' ' ' LEU . 6.1 tpt -142.56 135.51 28.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 48' ' ' PHE . . . 141.43 -161.59 26.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -104.32 153.23 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.88 -45.67 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.5 t -64.39 -59.05 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 5.2 m -108.0 107.36 18.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -142.39 152.88 43.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -167.97 159.99 11.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.58 114.95 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 138' ' ' MET . 10.3 mp -80.21 -61.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ASN . . . . . 0.472 ' HB2' HD12 ' A' ' 136' ' ' ILE . 29.9 m120 -106.94 143.31 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 98.2 t -127.7 104.86 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.51 ' CG2' HG21 ' A' ' 154' ' ' THR . 65.3 mt -100.08 133.99 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -94.75 159.16 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.547 ' C ' HD13 ' A' ' 69' ' ' LEU . . . -59.87 -22.07 56.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -81.5 17.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.51 HG21 ' CG2' ' A' ' 150' ' ' ILE . 7.6 t -85.74 169.74 13.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 30.4 p -99.56 141.86 31.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.42 -30.39 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.9 -53.95 18.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -43.39 -46.44 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 86.8 mt -41.69 -66.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.406 ' HA ' HD12 ' A' ' 163' ' ' LEU . 15.3 ttm -44.69 -57.56 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 26.6 mtm -50.5 -61.54 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -43.56 -50.85 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 160' ' ' MET . 84.9 mt -48.43 -59.42 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 53.5 mtp -47.19 -56.63 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -44.94 -60.54 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -42.87 -43.34 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 30.4 mtp -58.71 -41.0 85.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.756 ' O ' HG22 ' A' ' 171' ' ' THR . 14.9 mt-10 -59.23 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 172' ' ' ALA . 76.0 mt -39.83 -52.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -39.43 -59.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 168' ' ' GLU . 1.4 t -56.05 -28.1 56.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 169' ' ' ILE . . . -77.13 -44.38 30.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -54.73 -40.94 69.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -53.74 146.93 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -92.72 -8.91 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.99 102.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.95 -52.97 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 29.2 mm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -112.17 124.5 52.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.05 144.72 47.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -109.14 13.54 24.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -145.1 103.4 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 27.3 tt0 -73.61 -54.13 8.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -37.67 -61.8 1.04 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.875 ' HA ' HD12 ' A' ' 18' ' ' LEU . 7.1 m-20 -47.72 -48.29 29.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 13' ' ' GLU . . . -45.01 -44.49 10.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.68 -43.34 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 15' ' ' ASP . 10.2 mt -46.49 -46.09 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -58.27 -60.7 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -50.95 -60.05 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -38.88 -56.8 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.27 76.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -56.89 -62.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -46.2 -54.69 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.6 t -37.5 -64.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 t -63.81 -47.13 82.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -40.29 -62.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.599 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 14.6 m-85 -92.51 -63.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.02 165.74 34.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.46 -44.11 96.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -53.16 114.92 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' ND1' ' C ' ' A' ' 32' ' ' HIS . 2.7 p80 -167.79 152.99 6.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.449 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.79 134.45 27.94 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.13 109.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.434 ' CD1' HG22 ' A' ' 93' ' ' THR . 70.1 m-85 -88.18 125.65 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 7.6 t80 -69.65 120.12 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.7 mm -82.11 106.69 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.17 -154.9 25.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -103.33 148.47 25.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 40.3 tp -46.54 -40.43 12.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 5.6 mm-40 -63.75 -40.1 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.68 43.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.63 -49.42 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 41' ' ' GLU . 23.7 m-85 -41.59 -42.23 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.502 ' C ' ' H ' ' A' ' 47' ' ' ALA . 30.9 mt-30 -59.47 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' C ' HG13 ' A' ' 50' ' ' VAL . 1.1 tp10 -58.45 -1.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -93.92 -50.87 5.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 138' ' ' MET . 3.8 m-85 -117.96 -33.64 4.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 3.7 m-85 -69.02 -0.11 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.763 HG23 ' H ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -64.83 -72.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.113 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.763 ' H ' HG23 ' A' ' 50' ' ' VAL . 66.5 mmtt -153.37 143.43 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.02 -26.03 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -102.89 -37.25 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.479 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 5.2 t70 -80.93 12.69 3.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -57.5 108.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 33.8 mtmt -109.47 176.57 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.777 HD22 ' HA ' ' A' ' 138' ' ' MET . 13.8 mt -111.94 163.56 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.948 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 59' ' ' ALA . 15.0 tp -107.97 154.53 21.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.635 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -136.24 105.88 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' A' ' 137' ' ' ILE . 41.6 mm -69.06 136.82 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.502 ' CE2' HD11 ' A' ' 78' ' ' LEU . 40.3 t80 -133.55 102.35 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 107' ' ' PHE . 96.5 mt -84.01 116.81 23.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -92.58 134.61 34.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 2.8 t-80 -139.39 110.09 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 10.4 t70 -62.84 -60.06 4.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.495 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 51.3 mm-40 -34.39 -45.77 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 t -52.45 140.09 23.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 m -84.92 -34.31 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 70' ' ' THR . 14.1 mt -65.62 -48.54 71.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 69' ' ' LEU . 88.7 m -32.05 -40.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.1 m-20 -50.94 -65.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' GLN . 33.8 m -72.14 -38.93 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 5.5 t80 -43.61 -56.41 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 28' ' ' TYR . 25.2 p -77.47 -43.34 32.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.403 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 9.1 t -62.44 -17.8 60.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' VAL . 36.3 mm-40 -109.45 -37.86 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.405 ' SD ' HD11 ' A' ' 159' ' ' LEU . 35.0 mtt -94.02 -70.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.502 HD11 ' CE2' ' A' ' 61' ' ' TYR . 15.0 mt -50.03 -24.87 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.3 m -78.12 -30.1 49.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 84' ' ' VAL . . . -59.47 125.46 23.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 84' ' ' VAL . 36.1 mt-10 -69.81 -58.14 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.473 ' O ' ' HE1' ' A' ' 160' ' ' MET . 4.6 m -45.38 -23.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.451 HG13 ' CG2' ' A' ' 156' ' ' VAL . 28.7 mm -85.43 -65.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 81' ' ' GLU . 14.0 m -53.14 -24.67 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.6 p -71.48 -56.1 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.657 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 53.2 t80 -68.7 -47.04 67.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.93 -33.58 72.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 35.7 t -84.7 -38.22 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -76.49 -61.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.657 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 2.5 m-80 -69.11 -47.43 65.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 167' ' ' MET . 3.2 m-85 -106.59 175.41 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.8 mm -109.11 114.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.434 HG22 ' CD1' ' A' ' 35' ' ' PHE . 62.0 m -71.31 126.71 30.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 76.1 t90 -146.66 112.28 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.47 157.69 17.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -147.42 125.05 11.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -83.8 105.35 14.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -113.01 10.05 18.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.4 m -54.91 -51.15 66.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 101' ' ' ASP . 31.3 mtmt -65.74 127.81 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -36.57 -61.01 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 61.4 m -40.61 -55.49 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -61.79 -49.56 75.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -43.7 -50.86 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.17 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -50.6 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 62' ' ' LEU . 66.9 t80 -51.97 -41.86 62.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.409 ' HA ' ' SG ' ' A' ' 111' ' ' CYS . 16.4 mt -71.55 -18.71 62.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.8 m -89.06 -40.39 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.28 -30.46 54.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 108' ' ' LEU . 19.9 p -59.75 -30.8 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -60.77 -39.06 87.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 114' ' ' HIS . 37.9 mtm180 -94.85 -66.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 113' ' ' ARG . 20.0 m170 -33.13 -65.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -92.83 -63.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.79 -169.95 34.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 55.5 m -85.55 -48.86 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.9 t -41.66 -65.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 120' ' ' ALA . 11.3 m -57.2 -40.15 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 123' ' ' ILE . . . -53.6 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 120' ' ' ALA . 52.2 tt0 -34.89 -55.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.4 m -53.76 -40.49 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 120' ' ' ALA . 39.4 mm -62.79 -24.61 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -82.44 -29.5 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.7 p -92.24 15.91 12.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.562 ' OE1' HD21 ' A' ' 133' ' ' LEU . 28.1 mm-40 -86.86 129.09 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -81.83 162.3 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.1 m -59.52 -55.97 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -48.81 -48.99 41.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -41.4 -48.69 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.517 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 33.5 m-85 -52.19 157.75 2.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.67 0.748 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.9 Cg_endo -69.76 -178.03 15.84 Favored 'Cis proline' 0 C--O 1.232 0.215 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.339 -0.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.562 HD21 ' OE1' ' A' ' 126' ' ' GLN . 46.1 mt -130.86 104.92 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.635 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 7.5 t80 -95.65 118.11 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.631 HD23 HG11 ' A' ' 146' ' ' VAL . 5.6 mp -117.79 146.21 43.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 95.2 mt -100.88 112.46 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.467 ' CG1' HG12 ' A' ' 60' ' ' ILE . 10.8 mm -92.17 135.46 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.777 ' HA ' HD22 ' A' ' 57' ' ' LEU . 5.0 ttp -96.65 -40.85 8.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.467 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 90.98 118.81 2.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 141' ' ' ARG . 10.6 ttpp -135.71 127.13 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 140' ' ' LYS . 2.4 mmp_? -36.02 -41.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.8 t -72.62 -67.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.2 m -152.55 146.83 25.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -68.15 152.65 45.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -151.08 146.63 26.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.631 HG11 HD23 ' A' ' 135' ' ' LEU . 4.3 m -89.8 127.2 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 138' ' ' MET . 64.1 mt -82.13 -32.2 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -150.54 152.06 33.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 86.1 t -121.54 122.15 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.403 HG21 HG21 ' A' ' 154' ' ' THR . 22.5 mt -111.05 138.99 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -88.3 177.56 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 73' ' ' PHE . . . -77.74 -21.92 70.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 153' ' ' ASN . 24.5 t-20 -82.61 16.43 2.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 159' ' ' LEU . 6.4 t -80.54 160.7 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.8 p -91.4 133.35 35.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 157' ' ' ASP . 7.8 p -40.77 -48.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.543 ' N ' HG13 ' A' ' 156' ' ' VAL . 1.3 m-20 -54.69 -54.25 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -41.88 -44.84 3.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 154' ' ' THR . 54.4 mt -52.75 -62.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.473 ' HE1' ' O ' ' A' ' 82' ' ' SER . 34.5 tpp -42.18 -43.17 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 8.9 mtt -69.41 -61.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -46.01 -37.86 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 32.6 mt -71.1 -68.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 165' ' ' ALA . 5.0 ptp -43.81 -34.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.566 ' O ' HD12 ' A' ' 169' ' ' ILE . . . -58.8 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.47 -40.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 91' ' ' PHE . 12.5 mmm -70.3 -50.08 43.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 165' ' ' ALA . 5.1 mt-10 -57.43 -43.93 84.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 165' ' ' ALA . 5.1 mp -72.68 -49.21 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.585 ' CE2' ' NE2' ' A' ' 174' ' ' GLN . 50.9 t80 -38.61 -63.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 34.9 p -39.29 -55.53 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.84 97.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.59 -64.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.585 ' NE2' ' CE2' ' A' ' 170' ' ' PHE . 10.1 pt20 -54.81 155.2 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' GLN . . . . . 0.526 ' O ' ' CG ' ' A' ' 176' ' ' GLU . 3.5 pm0 -99.36 17.08 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 175' ' ' GLN . 3.7 pt-20 51.08 32.06 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.2 -51.58 57.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -78.18 -54.42 6.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.96 138.22 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.99 175.53 3.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' GLU . 8.0 p-10 -111.49 130.62 55.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 39' ' ' SER . 44.6 mt-10 -37.39 -44.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -37.13 -66.4 0.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.37 -44.72 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.65 62.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' LEU . 96.1 mt -57.43 -56.38 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.8 mt -34.27 -44.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -64.19 -50.27 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.8 t80 -67.66 -58.57 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.429 HG23 ' CD2' ' A' ' 35' ' ' PHE . 19.3 m -48.35 -51.69 25.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.18 -54.21 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' PHE . 23.9 mt-10 -67.42 -62.52 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 t80 -37.26 -40.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -62.46 -52.84 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -72.96 -58.8 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -39.19 -37.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD2' ' HD2' ' A' ' 27' ' ' ARG . 22.4 m-85 -94.43 -64.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 164.58 153.47 7.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -46.51 -39.46 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.846 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.2 m -63.81 105.17 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 34.0 p80 -167.75 152.08 6.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HG3' HD22 ' A' ' 78' ' ' LEU . 53.4 Cg_endo -69.79 140.69 43.19 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.4 p -59.67 117.72 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.429 ' CD2' HG23 ' A' ' 21' ' ' THR . 94.0 m-85 -92.76 134.17 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -78.32 120.74 23.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.95 114.5 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.09 -154.01 25.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 13' ' ' GLU . 20.0 m -101.29 160.47 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 37.0 tp -53.65 -45.41 70.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 38.1 mt-10 -53.14 -47.93 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.55 -52.23 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -40.9 -44.31 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 41' ' ' GLU . 24.9 m-85 -47.68 -40.85 21.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 3.6 mm-40 -64.01 -31.42 72.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.609 ' HA ' HG13 ' A' ' 50' ' ' VAL . 6.7 tp10 -107.76 9.22 29.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -98.0 -66.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -110.3 -37.74 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 3.0 m-85 -51.13 -30.44 16.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' ' 46' ' ' GLU . 19.7 m -55.46 174.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -58.72 171.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.48 -37.38 71.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -76.17 -31.82 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.51 9.81 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -53.3 146.22 12.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -151.54 173.28 14.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 55.1 mt -112.4 161.57 16.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 tp -106.82 129.27 54.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.22 111.38 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.445 ' CD1' HG13 ' A' ' 137' ' ' ILE . 5.2 mp -77.3 133.98 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -118.71 106.08 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.725 HD22 HD22 ' A' ' 98' ' ' LEU . 64.1 mt -83.28 122.18 28.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -102.51 126.18 49.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 13.9 t-80 -130.74 114.93 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.1 t70 -61.99 -61.33 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 76.0 mt-10 -35.26 -46.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -61.01 143.85 54.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -88.39 -38.89 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 71' ' ' ASN . 12.6 mt -49.64 -47.09 50.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 69' ' ' LEU . 54.1 m -32.92 -33.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 69' ' ' LEU . 26.4 t-20 -72.14 -65.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.564 HG23 ' N ' ' A' ' 73' ' ' PHE . 32.9 m -61.78 -47.83 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' N ' HG23 ' A' ' 72' ' ' VAL . 3.2 t80 -40.46 -53.63 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.422 ' HB3' HD12 ' A' ' 78' ' ' LEU . 27.4 p -78.13 -48.99 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 4.9 m -60.81 -13.58 16.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 72' ' ' VAL . 78.2 mm-40 -110.55 -39.28 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.52 ' HA ' HG22 ' A' ' 156' ' ' VAL . 30.8 mtt -97.89 -58.37 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.422 HD12 ' HB3' ' A' ' 74' ' ' CYS . 90.8 mt -74.37 12.45 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.486 ' HB3' ' C ' ' A' ' 75' ' ' SER . 1.8 p -97.93 -26.81 14.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.528 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -77.27 131.1 38.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 pm0 -66.78 -29.44 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 81' ' ' GLU . 40.2 m -69.67 -49.22 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.459 HG13 HG13 ' A' ' 156' ' ' VAL . 50.6 mm -63.42 -48.3 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 80' ' ' ALA . 35.6 m -63.0 -40.25 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 84' ' ' VAL . 5.7 m -69.57 -48.98 58.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.614 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 2.0 t80 -64.73 -44.58 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' PHE . 11.0 tp -63.73 -41.51 98.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 p -73.4 -38.44 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -75.05 -61.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.614 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 10.3 m120 -65.98 -48.67 70.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 1.9 m-85 -108.68 175.13 5.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.1 mm -104.27 116.39 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.6 m -77.16 109.58 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.513 ' CH2' ' HB2' ' A' ' 40' ' ' LEU . 58.5 t90 -141.21 111.67 6.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.83 167.16 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -151.76 104.71 3.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.09 104.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.725 HD22 HD22 ' A' ' 62' ' ' LEU . 1.7 pt? -110.41 17.79 20.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.3 m -47.0 -48.02 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.6 151.97 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 102' ' ' SER . 40.3 m-20 -58.67 -58.06 10.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 101' ' ' ASP . 23.4 t -36.59 -53.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -71.17 -41.92 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -46.01 -55.19 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.15 75.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' A' ' 110' ' ' MET . 12.1 ttm180 -50.49 -41.13 52.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -69.43 -44.26 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.39 -50.61 72.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.9 m -61.07 -65.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.408 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 3.8 ppp? -46.4 -37.85 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.7 m -65.12 -60.49 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.431 ' HA ' ' C ' ' A' ' 116' ' ' GLY . 3.0 t30 -42.23 -29.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -74.31 -49.93 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -77.51 -65.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -75.98 -68.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.431 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 148.96 160.98 9.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.7 t -58.61 -44.69 89.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 31.4 m -44.91 -32.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.8 t -81.12 -45.59 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.05 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 122' ' ' THR . 6.1 tm0? -48.0 -51.03 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.48 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 36.9 m -45.74 -53.49 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.45 -43.85 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -57.6 -33.07 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.7 p -81.61 15.16 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -106.62 159.38 16.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -85.74 169.81 13.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 21.6 m -68.45 -55.42 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.3 OUTLIER -48.09 -47.8 34.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.827 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 129' ' ' ASP . 24.5 mt-30 -33.82 -44.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.516 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 14.0 m-85 -54.75 157.05 5.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 54.0 Cg_endo -69.76 177.97 27.04 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.35 0.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 151' ' ' GLN . 14.9 mt -128.01 110.42 12.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -95.69 119.37 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 135' ' ' LEU . 2.7 mp -125.48 133.06 52.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 37.2 mt -93.28 107.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.613 ' CD1' HG22 ' A' ' 146' ' ' VAL . 21.0 mm -102.73 102.03 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.425 ' O ' ' O ' ' A' ' 139' ' ' GLY . 21.3 ttp -98.1 -44.07 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.49 ' HA3' ' HA ' ' A' ' 144' ' ' ASN . . . 38.54 -160.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 139' ' ' GLY . 33.1 mtmt -151.64 157.59 42.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.31 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -40.62 -37.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.1 t -73.34 -72.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 64.9 m -129.8 152.86 48.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.49 ' HA ' ' HA3' ' A' ' 139' ' ' GLY . 80.6 m-20 -102.77 159.43 15.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -163.23 171.59 16.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.613 HG22 ' CD1' ' A' ' 137' ' ' ILE . 96.9 t -106.1 133.61 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 33.4 mt -97.91 -67.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ASN . . . . . 0.436 HD21 ' HA ' ' A' ' 148' ' ' ASN . 1.9 m120 -118.35 149.75 40.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 85.4 t -132.26 110.34 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 41.3 mt -96.67 117.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.448 ' O ' HD23 ' A' ' 133' ' ' LEU . 24.0 mt-30 -49.63 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 163.1 -22.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -80.86 13.95 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.7 t -67.09 176.73 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 76.4 p -123.28 149.21 45.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 77' ' ' MET . 60.8 t -40.31 -50.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -51.04 -42.71 60.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -61.46 -39.86 92.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.405 HD11 ' SD ' ' A' ' 77' ' ' MET . 88.2 mt -60.0 -48.04 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 160' ' ' MET . 6.2 mmt -47.54 -62.04 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -44.18 92.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -50.31 -45.22 54.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 35.6 mt -75.18 -45.86 37.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 8.5 mmt -51.61 -57.72 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -47.5 -54.56 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -54.12 -60.52 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -46.05 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.02 -61.03 2.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 90.8 mt -39.79 -47.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 170' ' ' PHE . 5.4 t80 -44.64 -60.58 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.1 m -41.14 -43.01 2.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.84 73.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -61.45 -57.75 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -58.75 143.58 46.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -99.73 15.27 27.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -101.38 105.14 16.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -89.75 -53.13 4.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 74.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.455 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 1.7 pm0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.861 0.363 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' A' ' 8' ' ' GLU . 4.1 m120 52.88 40.7 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.1 106.85 6.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -120.49 114.28 21.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -41.74 -64.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -39.86 -44.3 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.05 -63.16 4.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.599 ' HA ' HD12 ' A' ' 18' ' ' LEU . 52.3 m-20 -62.3 -47.1 85.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.55 -48.79 48.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' LEU . 30.2 mt -61.63 -54.21 45.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 15' ' ' ASP . 11.1 mt -33.56 -45.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.3 -56.06 17.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -54.23 -50.75 66.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 p -58.37 -45.45 88.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.53 -57.43 11.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 24' ' ' PHE . 14.2 pt-20 -56.18 -42.88 77.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 t80 -58.3 -44.48 88.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 29' ' ' GLY . 12.8 t -48.27 -64.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -66.13 -49.3 67.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -39.62 -58.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -90.71 -64.34 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -175.15 147.63 9.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -51.17 -45.1 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.1 m -62.71 114.58 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -167.54 154.54 7.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HG3' HD22 ' A' ' 78' ' ' LEU . 53.7 Cg_endo -69.75 132.1 22.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.5 p -56.17 120.83 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -95.64 122.29 38.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.12 117.41 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.7 109.26 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.05 -146.09 12.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -117.45 143.44 46.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.627 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 20.9 tp -43.71 -41.54 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -46.41 -53.33 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.94 88.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.31 -45.3 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -53.43 -40.16 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -68.56 -54.72 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' C ' ' HB ' ' A' ' 50' ' ' VAL . 15.7 tp10 -64.87 -3.68 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.93 -61.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 50' ' ' VAL . 34.7 m-85 -98.03 -49.44 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -76.57 17.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 51' ' ' LYS . 12.8 p -78.76 -45.48 25.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.519 ' N ' HG13 ' A' ' 50' ' ' VAL . 46.6 mmtt -149.29 178.0 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.37 -34.07 12.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -115.5 -24.44 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 51' ' ' LYS . 2.1 m-20 -89.14 17.98 5.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 29.2 mtt180 -52.09 111.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 24.5 mtmm -95.66 178.73 5.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.681 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 25.0 mt -111.92 150.59 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.7 tp -104.91 152.78 22.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.7 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -148.18 118.17 7.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.18 141.43 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 132' ' ' PRO . 46.0 t80 -131.5 105.06 7.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.514 ' HB3' HD22 ' A' ' 98' ' ' LEU . 35.9 mt -85.74 113.14 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -87.27 135.78 33.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -140.18 123.56 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' GLU . 6.7 t0 -72.39 -61.33 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' ASP . 52.5 mt-10 -33.7 -45.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 t -52.96 156.11 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.1 m -103.7 -27.33 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 12.7 mt -74.79 -17.66 60.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' VAL . 39.9 m -75.92 -65.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 70' ' ' THR . 0.5 OUTLIER -34.31 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 73' ' ' PHE . 34.5 m -96.01 -44.23 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 18.1 t80 -65.6 -10.91 39.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 32.0 p -93.28 -38.16 11.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 m -98.01 -15.36 20.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.3 mm-40 -98.56 -57.58 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.572 ' SD ' HG22 ' A' ' 156' ' ' VAL . 0.0 OUTLIER -79.67 -71.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.544 HD22 ' HG3' ' A' ' 33' ' ' PRO . 11.1 mt -41.57 -24.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -82.51 17.98 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -78.76 102.17 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.92 -36.72 49.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -70.17 -40.35 74.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 55.8 mt -73.76 -67.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ILE . 17.4 m -36.93 -30.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' ILE . 28.5 t -79.59 -54.8 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 t80 -71.21 -56.18 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' PHE . 17.1 tp -43.96 -32.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.0 m -92.49 -44.6 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -65.92 -60.04 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 5.2 m-80 -76.38 -46.92 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.4 m-85 -104.6 170.55 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -103.66 113.42 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.2 m -80.06 127.83 32.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.627 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 72.9 t90 -150.59 114.84 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.07 159.7 16.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -149.75 123.25 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.66 104.24 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pt? -111.59 14.62 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' LEU . 54.5 m -37.34 -68.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -63.54 158.42 21.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -65.16 -50.49 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.2 m -39.22 -41.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -78.89 -55.2 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -39.8 -52.06 2.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -53.39 -57.27 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' ALA . 25.8 mtt-85 -37.74 -59.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.446 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 90.9 t80 -46.43 -50.08 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.26 -43.53 87.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -62.8 -59.94 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.462 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 8.1 ptp -56.58 -37.19 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 110' ' ' MET . 34.3 m -65.84 -48.69 70.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -43.06 -35.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -91.11 -60.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -48.07 -62.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -90.92 -65.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 155.42 176.2 27.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.5 m -76.97 -30.2 55.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.798 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.61 -58.76 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 120' ' ' ALA . 5.0 m -56.18 -40.27 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.423 ' N ' HG23 ' A' ' 119' ' ' VAL . . . -51.71 -60.06 3.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' ALA . 14.3 tm0? -37.7 -59.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.9 m -48.68 -45.12 38.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.0 mm -56.94 -37.48 54.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -64.29 -46.36 83.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 71.9 p -66.49 -41.72 88.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.577 ' HB3' HD11 ' A' ' 133' ' ' LEU . 47.0 mm-40 -52.75 104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -64.54 172.95 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 129' ' ' ASP . 49.2 m -58.63 -59.37 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.7 OUTLIER -35.55 -54.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' ASP . 30.7 mm-40 -37.23 -45.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 39.1 m-85 -54.85 155.81 7.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.587 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 53.9 Cg_endo -69.8 135.08 32.11 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.347 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 126' ' ' GLN . 20.6 mt -87.81 102.7 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.7 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -95.84 119.06 33.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 135' ' ' LEU . 4.0 mp -121.0 136.91 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 79.9 mt -98.8 119.36 46.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.437 ' CD1' HG22 ' A' ' 146' ' ' VAL . 42.1 mm -97.79 140.59 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.405 ' HB3' ' CD1' ' A' ' 147' ' ' LEU . 5.3 ttt -168.0 152.59 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 150.61 -160.48 28.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -89.76 150.15 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 142' ' ' SER . 0.1 OUTLIER -53.16 -26.89 18.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.424 ' N ' ' HG2' ' A' ' 141' ' ' ARG . 11.7 t -61.46 -48.16 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.9 m -157.08 122.12 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -87.28 164.48 16.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -154.91 157.07 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 137' ' ' ILE . 48.4 t -88.08 111.85 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 138' ' ' MET . 78.6 mt -76.27 -60.37 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -116.81 152.99 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 99.1 t -131.69 110.65 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.3 mt -100.08 120.38 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.1 -61.79 2.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 151.72 -20.02 0.89 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -82.07 14.04 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 13.8 t -80.35 168.12 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.8 p -89.96 144.56 25.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.572 HG22 ' SD ' ' A' ' 77' ' ' MET . 65.6 t -43.02 -51.93 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -49.56 -55.17 14.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -42.93 -52.6 5.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 156' ' ' VAL . 13.6 mt -51.77 -51.21 58.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.4 ' HA ' ' HE3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -51.68 -48.55 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 30.0 mtp -63.91 -54.06 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -40.27 -58.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 85.9 mt -49.31 -56.55 9.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.3 mmm -53.69 -41.77 67.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 168' ' ' GLU . . . -59.66 -39.55 84.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.9 81.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 168' ' ' GLU . 6.0 mmm -69.66 -67.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 10.9 pt-20 -37.56 -42.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.477 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 91.6 mt -68.67 -46.36 79.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 174' ' ' GLN . 50.7 t80 -48.86 -54.93 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 77.1 p -52.29 -41.09 62.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -68.36 -43.2 77.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.29 -48.85 76.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.582 ' HG3' ' CE1' ' A' ' 170' ' ' PHE . 62.5 mm-40 -58.13 144.03 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.57 -9.05 58.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -39.4 -48.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -38.89 -53.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 2.3 pm0 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 8' ' ' GLU . 19.7 m120 -86.57 -58.19 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.97 138.14 40.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -138.85 157.75 45.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -85.12 -52.23 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' GLY . 35.0 mt-10 -80.78 -48.26 12.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.4 -59.04 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -45.2 95.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.88 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LEU . 99.1 mt -60.15 -57.82 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' HD12 ' A' ' 37' ' ' ILE . 12.0 mt -33.84 -56.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -51.81 -50.3 61.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.68 -57.14 13.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.6 p -50.57 -42.59 55.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.178 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.93 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' PHE . 17.9 mm-40 -59.02 -61.14 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' GLU . 11.7 t80 -36.09 -58.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -39.8 -50.77 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -71.95 -43.54 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -41.16 -57.24 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.422 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 23.1 m-85 -97.85 -63.34 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.92 151.79 10.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.555 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -50.01 -43.47 50.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.02 107.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -167.11 156.01 9.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.6 Cg_endo -69.72 129.29 17.37 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.8 t -53.55 102.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.455 ' CD1' HG22 ' A' ' 93' ' ' THR . 54.6 m-85 -78.11 130.73 36.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -70.44 129.2 38.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.459 HD12 ' HG ' ' A' ' 18' ' ' LEU . 23.5 mm -91.63 116.5 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.83 -148.58 19.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.3 m -110.48 148.72 31.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 10.0 tp -43.62 -44.54 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -43.85 -51.48 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.03 -18.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 58' ' ' LEU . 15.5 m-85 -87.84 -51.71 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.524 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.23 -41.31 94.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 45' ' ' GLN . 17.2 tp10 -61.58 -7.6 3.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.426 ' C ' HG22 ' A' ' 50' ' ' VAL . . . -117.5 -37.97 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.575 ' CZ ' ' HA3' ' A' ' 139' ' ' GLY . 1.7 m-85 -97.6 -64.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 4.8 m-85 -43.29 -37.51 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.791 HG23 ' H ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -33.76 -76.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.791 ' H ' HG23 ' A' ' 50' ' ' VAL . 1.5 mmmp? -157.18 133.54 9.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.424 ' O ' ' NE ' ' A' ' 55' ' ' ARG . . . -50.65 -20.52 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -98.28 -46.72 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.08 17.9 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 52' ' ' ALA . 13.1 mtm180 -53.54 141.23 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -128.02 175.86 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.896 HD22 ' HA ' ' A' ' 138' ' ' MET . 28.9 mt -117.23 146.2 43.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 44' ' ' PHE . 17.2 tp -104.41 146.87 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.604 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -136.14 105.62 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.454 ' H ' HD12 ' A' ' 60' ' ' ILE . 5.0 mp -70.25 119.53 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.506 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 11.5 t80 -104.13 106.66 17.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.567 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 44.2 mt -84.53 119.82 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -99.31 113.17 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 4.9 t-80 -124.27 116.17 22.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' GLU . 6.0 t70 -63.17 -56.84 13.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 25.8 mt-10 -34.49 -39.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.2 t -61.46 150.7 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -92.33 -36.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 129' ' ' ASP . 25.2 mt -63.57 -46.58 85.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.478 ' CA ' ' HD3' ' A' ' 132' ' ' PRO . 34.1 m -46.36 -29.2 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -61.48 -65.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' GLN . 10.6 m -69.76 -46.31 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 4.6 t80 -54.31 -14.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 34.6 t -83.42 -48.51 10.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.426 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 97.5 p -97.37 -1.98 43.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' VAL . 54.9 mm-40 -105.3 -51.29 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.549 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -91.41 -68.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 14.7 mt -44.0 -40.41 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.1 m -64.89 -32.16 73.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -52.06 113.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.612 ' HA ' HG22 ' A' ' 84' ' ' VAL . 3.9 mm-40 -63.86 -40.2 96.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m -52.63 -26.75 14.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 85' ' ' SER . 49.2 mm -90.53 -67.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' ' 81' ' ' GLU . 32.9 m -45.61 -20.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 83' ' ' ILE . 14.6 m -75.34 -59.35 2.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 13.8 t80 -70.9 -44.47 66.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' PHE . 17.5 tp -57.16 -35.17 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.0 t -86.8 -42.8 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -69.92 -61.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.563 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 10.6 m120 -72.24 -48.93 39.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 2.8 m-85 -104.42 175.59 5.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.4 HG13 ' HB2' ' A' ' 47' ' ' ALA . 13.2 mm -109.81 109.23 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.598 HG21 ' HB2' ' A' ' 33' ' ' PRO . 48.3 m -71.19 131.9 44.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.505 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 4.8 t90 -148.0 126.43 12.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -115.17 143.35 45.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -143.3 102.79 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -66.86 109.05 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -116.08 16.62 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.0 m -47.38 -45.33 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -82.2 132.4 35.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -42.46 -44.09 3.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.5 m -40.63 -57.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -71.42 -45.15 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.96 -55.3 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.15 -53.18 56.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -46.91 -48.36 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 48.1 t80 -59.5 -36.11 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.671 ' CD2' ' HB1' ' A' ' 120' ' ' ALA . 28.8 mt -74.35 -35.06 63.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.3 m -67.64 -50.16 59.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 23.0 ptp -65.74 -43.27 89.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.679 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -66.42 -39.05 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 112' ' ' ASN . 0.3 OUTLIER -55.01 -33.36 62.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -94.39 -65.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -39.43 -67.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.562 ' CE1' HG12 ' A' ' 137' ' ' ILE . 26.5 m-85 -88.02 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.31 169.34 25.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.7 m -69.27 -52.28 29.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.0 t -42.31 -58.28 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.9 t -47.76 -65.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.679 ' HB2' ' SG ' ' A' ' 111' ' ' CYS . . . -47.71 -44.35 27.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -54.15 -44.46 71.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.2 m -50.12 -43.86 51.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.534 HG23 HD12 ' A' ' 133' ' ' LEU . 49.6 mt -70.62 -30.38 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.9 ttt-85 -71.39 -50.75 28.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.1 t -69.55 -24.62 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.424 ' CD ' ' HG3' ' A' ' 130' ' ' GLN . 6.7 mm100 -62.84 157.59 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -87.01 145.42 26.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 91.3 m -49.95 -38.7 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -51.04 -49.46 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 29.9 mm-40 -36.66 -46.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 61.5 m-85 -52.48 154.77 4.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.2 Cg_endo -69.67 132.1 21.14 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.349 -0.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 123' ' ' ILE . 12.8 mt -89.19 102.14 14.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.604 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.0 t80 -94.98 116.14 28.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 135' ' ' LEU . 4.7 mp -115.03 162.76 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.448 ' C ' HD12 ' A' ' 137' ' ' ILE . 38.8 mt -130.2 142.53 43.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 145' ' ' GLU . 4.7 mp -134.88 138.27 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.896 ' HA ' HD22 ' A' ' 57' ' ' LEU . 2.7 tmm? -78.63 -57.9 3.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.575 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 102.45 106.89 3.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -127.05 128.98 47.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.885 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 140' ' ' LYS . 5.8 mmm180 -32.97 -47.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.8 t -58.12 -62.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.7 t -163.03 157.57 21.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.478 ' HB3' HG21 ' A' ' 137' ' ' ILE . 24.9 m-80 -86.08 148.75 25.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 137' ' ' ILE . 15.9 pt-20 -140.37 158.56 43.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.3 t -90.57 136.76 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.86 -66.72 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' A' ' 136' ' ' ILE . 38.9 m-20 -122.16 144.48 48.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.0 108.89 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.532 HG21 HG21 ' A' ' 154' ' ' THR . 47.0 mt -103.51 125.05 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 132' ' ' PRO . 24.9 mp0 -54.72 -63.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 152.92 -23.36 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -81.25 10.61 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.532 HG21 HG21 ' A' ' 150' ' ' ILE . 12.9 t -70.99 165.67 22.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 156' ' ' VAL . 76.4 p -88.04 133.9 33.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 157' ' ' ASP . 10.9 p -36.17 -42.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.477 ' N ' HG13 ' A' ' 156' ' ' VAL . 9.4 t0 -60.34 -52.43 65.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -43.41 -40.19 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.3 mt -58.96 -45.33 90.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.78 -58.71 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.4 ptm -64.5 -49.75 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -43.72 -47.74 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.46 -48.98 79.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.9 mtm -51.65 -53.85 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -44.1 -54.32 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -48.09 -42.8 29.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 11.8 mtp -60.83 -57.38 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -54.74 -48.68 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.24 -36.01 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -63.97 -61.24 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.77 -40.84 42.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.195 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -73.58 -40.64 63.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.072 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.31 -41.03 65.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -58.35 139.35 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -84.88 176.48 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 52.13 43.29 30.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -69.88 -46.74 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 3.1 pm0 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.59 168.02 20.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.88 41.49 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.084 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -92.6 16.07 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 59.17 42.11 19.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.45 -53.58 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.31 -50.49 40.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.57 -47.93 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.89 88.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.19 -35.57 79.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.08 -39.69 82.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -73.09 -46.54 50.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -61.59 -40.97 96.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 p -66.38 -60.36 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.34 -50.84 28.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.16 -53.76 44.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CE1' ' CD1' ' A' ' 28' ' ' TYR . 63.6 t80 -45.72 -64.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 t -53.22 -42.95 66.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -51.88 -32.65 33.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 2.8 ttm180 -95.9 -63.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 24' ' ' PHE . 29.0 m-85 -56.44 -61.49 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.31 166.94 21.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.44 -49.18 72.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.9 m -52.34 111.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -167.25 153.63 7.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.608 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.4 Cg_endo -69.75 126.69 13.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.9 t -53.16 102.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -74.62 134.35 42.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -74.15 110.66 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.6 mm -70.27 102.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.97 -173.02 44.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.3 t -89.71 151.33 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.969 0.414 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.525 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 54.2 tp -43.61 -33.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 41' ' ' GLU . 4.8 tp10 -76.42 -44.9 33.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.06 -36.73 75.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.45 82.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CE1' HD23 ' A' ' 58' ' ' LEU . 16.8 m-85 -47.71 -37.15 12.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.467 ' HG2' ' CG ' ' A' ' 49' ' ' TYR . 48.0 mt-30 -57.18 -60.52 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.01 -17.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.47 -57.25 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -97.0 -67.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.467 ' CG ' ' HG2' ' A' ' 45' ' ' GLN . 23.0 m-85 -37.94 -32.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.513 HG22 ' H ' ' A' ' 51' ' ' LYS . 4.5 p -51.94 167.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.17 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.513 ' H ' HG22 ' A' ' 50' ' ' VAL . 50.0 mmtt -53.3 163.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.428 ' HA ' ' NH1' ' A' ' 55' ' ' ARG . . . -65.16 -43.21 92.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -75.7 -39.75 56.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -79.53 12.27 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 59.6 mtm-85 -55.06 148.73 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -153.82 171.65 18.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.647 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 90.7 mt -113.38 153.0 29.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.462 HD23 ' CE1' ' A' ' 44' ' ' PHE . 31.0 tp -104.54 123.09 46.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.537 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -114.57 105.73 13.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.722 HG12 HD13 ' A' ' 137' ' ' ILE . 32.4 mm -70.12 139.17 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.501 ' CE2' HD11 ' A' ' 78' ' ' LEU . 1.8 t80 -134.66 115.74 14.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 107' ' ' PHE . 74.6 mt -93.15 118.59 31.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -100.58 132.19 46.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.427 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 12.3 t-80 -136.64 108.2 6.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.2 m-20 -53.32 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' ASP . 26.2 mt-10 -34.72 -41.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -58.08 147.97 27.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.46 -25.46 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.8 mt -70.38 -23.81 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.508 HG23 ' HD3' ' A' ' 132' ' ' PRO . 0.6 OUTLIER -62.34 -35.1 78.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.12 -48.08 71.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.591 HG23 ' N ' ' A' ' 73' ' ' PHE . 20.5 m -91.09 -53.34 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 1.7 t80 -43.05 -30.98 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.449 ' CB ' HD12 ' A' ' 78' ' ' LEU . 52.1 m -96.43 -14.42 22.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 72' ' ' VAL . 36.7 t -95.91 -18.65 20.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.806 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -110.0 -42.13 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.628 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 17.0 mtt -84.58 -61.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.501 HD11 ' CE2' ' A' ' 61' ' ' TYR . 34.9 mt -65.6 -42.01 92.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.464 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.6 m -81.31 17.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -91.99 110.61 21.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.52 -28.85 65.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 p -74.57 -51.62 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.4 mm -59.73 -59.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 85' ' ' SER . 15.4 m -49.96 -42.21 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 84' ' ' VAL . 4.4 m -54.6 -43.14 71.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.631 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 14.1 t80 -89.22 -65.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 91' ' ' PHE . 11.1 tp -35.83 -40.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -79.19 -48.77 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.59 -61.44 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.631 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 9.0 m-80 -72.82 -61.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.647 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.4 m-85 -91.31 178.58 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mm -110.18 130.62 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.608 HG21 ' HB2' ' A' ' 33' ' ' PRO . 59.2 m -83.19 125.62 31.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.525 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 10.0 t90 -150.34 111.77 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB2' ' HD2' ' A' ' 61' ' ' TYR . . . -113.14 158.9 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.452 ' O ' HD12 ' A' ' 98' ' ' LEU . 67.8 t-105 -151.17 119.06 6.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -78.41 131.33 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.462 HD21 HD22 ' A' ' 62' ' ' LEU . 4.6 mp -118.07 8.31 12.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.1 m -50.59 -43.31 56.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -82.09 126.26 31.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.43 -55.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 m -42.46 -45.01 4.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 104' ' ' ARG . 10.2 m120 -60.94 -56.31 22.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 103' ' ' ASN . 13.0 mtp180 -34.34 -62.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.62 -50.22 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -40.17 -67.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 62' ' ' LEU . 20.2 t80 -52.2 -51.79 56.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -43.06 -57.59 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 98.6 m -52.16 -47.68 65.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 18.1 mtm -56.87 -48.33 78.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.0 t -63.27 -45.31 92.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -49.49 -37.21 25.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -89.27 -66.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -40.98 -63.36 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 137' ' ' ILE . 17.1 m-85 -92.51 -66.21 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.4 155.59 8.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.9 t -61.11 -47.63 85.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.3 t -47.45 -52.28 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.6 -60.6 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB2' ' SG ' ' A' ' 111' ' ' CYS . . . -41.22 -57.42 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.494 ' O ' HG22 ' A' ' 125' ' ' THR . 14.0 tm0? -47.13 -46.2 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.8 m -45.81 -29.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.693 HD13 HD11 ' A' ' 62' ' ' LEU . 81.0 mt -87.72 -39.66 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -62.47 -42.04 99.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 121' ' ' GLN . 5.6 t -68.13 -29.73 68.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -58.95 151.51 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -77.07 176.64 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 129' ' ' ASP . 84.8 m -76.44 -62.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 128' ' ' THR . 2.4 p-10 -37.32 -49.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.407 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 51.0 mm-40 -38.42 -45.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.505 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 12.0 m-85 -52.06 158.75 1.67 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.508 ' HD3' HG23 ' A' ' 70' ' ' THR . 54.2 Cg_endo -69.79 -178.46 16.82 Favored 'Cis proline' 0 C--O 1.232 0.216 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.375 0.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.414 ' CD1' HG23 ' A' ' 123' ' ' ILE . 36.1 mt -132.7 120.26 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.537 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -112.89 112.68 24.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 135' ' ' LEU . 3.3 mp -109.17 162.84 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 43.9 mt -129.91 108.89 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.722 HD13 HG12 ' A' ' 60' ' ' ILE . 3.3 mp -96.02 126.25 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.488 ' HE2' ' HA ' ' A' ' 170' ' ' PHE . 4.0 tmm? -144.16 125.18 14.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 172.14 -155.99 24.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -97.99 142.32 29.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.402 ' C ' ' HD3' ' A' ' 141' ' ' ARG . 2.0 tmt_? -38.74 -47.81 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.5 m -68.4 -49.37 60.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.2 m -111.89 112.5 24.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -130.4 147.94 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -163.48 157.1 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.49 122.17 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.9 mp -85.91 -56.39 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -111.43 146.24 37.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 94.8 t -131.56 113.81 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 47.1 mt -102.36 138.73 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 132' ' ' PRO . 36.5 mt-30 -74.96 -56.84 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 149.93 -21.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -81.52 13.22 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 11.6 t -74.36 172.96 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 42.4 p -105.51 139.12 40.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.8 p -40.91 -34.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.49 -47.19 76.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -49.23 -43.84 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.486 HD11 ' SD ' ' A' ' 77' ' ' MET . 77.3 mt -47.27 -58.86 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 42.5 tpp -43.89 -48.14 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 17.8 mtt -63.93 -44.01 94.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -56.75 -41.18 77.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.83 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 59.0 mtp -46.07 -47.27 17.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.17 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.0 75.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 14.6 mtp -70.45 -58.44 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 6.9 pt-20 -50.28 -34.53 23.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 59.8 mt -74.69 -49.65 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.488 ' HA ' ' HE2' ' A' ' 138' ' ' MET . 88.5 t80 -41.6 -63.57 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.73 HG23 ' H ' ' A' ' 172' ' ' ALA . 1.2 t -50.28 -62.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.73 ' H ' HG23 ' A' ' 171' ' ' THR . . . -41.14 -50.05 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -50.01 -55.88 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 171' ' ' THR . 10.0 pt20 -68.07 144.89 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -116.62 13.99 15.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -121.98 109.06 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -43.36 -54.94 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 24.2 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.903 0.382 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -84.42 -47.61 10.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.8 148.7 39.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -101.26 137.1 40.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -86.99 -54.66 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -46.9 -46.18 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.35 -62.12 6.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.76 -44.38 77.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.62 -45.9 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' PHE . 49.1 mt -67.85 -58.71 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.639 ' HG ' HD12 ' A' ' 37' ' ' ILE . 5.5 mt -34.31 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -64.48 -43.98 92.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.6 t80 -63.13 -43.72 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.9 p -67.27 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.12 -45.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -77.79 -42.92 32.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 28' ' ' TYR . 83.2 t80 -37.76 -39.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' GLY . 2.3 p -72.99 -61.34 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -42.09 -34.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 17.4 ptp180 -83.89 -49.47 8.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.486 ' CD2' ' CE1' ' A' ' 24' ' ' PHE . 31.4 m-85 -95.66 -67.68 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 172.47 152.68 8.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -51.86 -45.1 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.64 111.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -167.05 152.67 7.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.535 0.683 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 131.09 20.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -53.97 107.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -82.88 125.83 31.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -58.94 108.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.639 HD12 ' HG ' ' A' ' 18' ' ' LEU . 26.8 mm -73.36 103.17 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.98 -167.39 35.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 t -91.66 145.24 24.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.674 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 10.8 tp -45.79 -41.2 10.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -41.31 -50.84 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -68.01 -53.79 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.41 -24.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CE2' ' HG ' ' A' ' 40' ' ' LEU . 51.9 m-85 -74.34 -55.83 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.41 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 4.6 pt20 -63.81 -42.64 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HA ' HG13 ' A' ' 50' ' ' VAL . 7.3 tt0 -62.91 -6.36 3.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.512 ' O ' ' CG2' ' A' ' 50' ' ' VAL . . . -97.93 -60.99 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 56' ' ' LYS . 32.8 m-85 -96.85 -65.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' VAL . 30.4 m-85 -35.76 -38.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -32.15 -73.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HG2' ' C ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -156.47 132.8 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.445 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . . . -49.81 -15.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -97.87 -48.09 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -84.49 16.71 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 52' ' ' ALA . 36.2 mtt180 -55.79 102.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.548 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 65.7 mttm -94.08 179.02 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 138' ' ' MET . 69.8 mt -111.02 151.35 28.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.537 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 19.4 tp -104.84 140.43 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.678 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -140.43 109.15 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mp -76.37 131.68 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CE1' ' CE1' ' A' ' 73' ' ' PHE . 39.3 t80 -118.88 103.41 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD22 HD11 ' A' ' 98' ' ' LEU . 52.2 mt -79.63 117.58 20.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -97.81 116.61 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.588 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 12.8 t-80 -117.54 103.27 9.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.9 t0 -54.21 -59.39 4.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.53 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 27.3 mm-40 -34.01 -45.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.1 t -58.43 149.4 25.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.62 -22.3 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 12.7 mt -71.41 -21.18 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.428 HG23 ' HD3' ' A' ' 132' ' ' PRO . 0.7 OUTLIER -62.36 -50.29 72.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -43.11 -63.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 73' ' ' PHE . 19.2 m -70.11 -45.26 76.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 1.9 t80 -45.07 -52.03 9.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.529 ' CB ' HD12 ' A' ' 78' ' ' LEU . 28.2 p -78.0 -36.04 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.439 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 26.9 t -71.57 -15.69 62.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' VAL . 57.0 mm-40 -110.68 -37.91 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.694 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 29.6 mtt -91.72 -55.14 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.529 HD12 ' CB ' ' A' ' 74' ' ' CYS . 96.1 mt -76.94 16.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.3 m -112.27 -22.34 10.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.501 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -69.37 129.14 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 82' ' ' SER . 14.4 pt-20 -65.72 -45.28 83.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 71.9 m -64.72 -41.21 96.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.633 HD13 ' CE ' ' A' ' 160' ' ' MET . 26.4 mm -62.44 -51.09 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -65.89 -35.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -68.77 -46.99 67.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 4.2 t80 -72.23 -52.2 17.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.46 -31.37 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.5 p -85.82 -41.98 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.504 ' O ' ' CE ' ' A' ' 56' ' ' LYS . 13.3 mm-40 -75.42 -61.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.541 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 2.0 m-80 -66.61 -43.49 84.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 3.0 m-85 -114.1 171.69 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -101.12 114.94 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.2 m -73.75 125.83 28.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.674 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 32.0 t90 -151.69 103.61 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.44 150.83 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -142.76 136.7 29.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.89 125.47 41.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 62' ' ' LEU . 4.3 mp -115.27 3.29 14.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.9 m -42.82 -44.28 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -91.6 143.69 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -52.1 -58.91 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.3 m -37.29 -47.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -74.71 -47.44 31.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -53.24 -64.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.49 -47.61 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.4 mtp85 -48.76 -55.48 11.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -54.09 -46.23 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.09 -34.59 77.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.7 m -71.92 -49.48 37.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.2 ptm -70.99 -30.09 66.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 6.4 t -76.56 -45.46 30.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -49.45 -34.06 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' HIS . 57.3 mtt180 -94.73 -68.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' ARG . 1.5 m80 -37.85 -61.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -89.64 -60.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.49 164.91 14.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 97.2 p -70.39 -45.38 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.824 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.64 -44.8 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.36 -53.69 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 111' ' ' CYS . . . -57.93 -50.76 72.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -52.15 -45.84 65.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 88.8 m -53.03 -43.15 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 133' ' ' LEU . 94.1 mt -68.97 -36.88 76.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.65 96.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.9 p -66.43 -38.2 86.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -52.33 130.22 30.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -56.34 173.74 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 95.2 m -69.72 -60.47 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.3 OUTLIER -40.12 -47.67 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 129' ' ' ASP . 15.9 mm100 -33.81 -48.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 64' ' ' HIS . 17.2 m-85 -52.12 158.52 1.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.6 ' HG2' ' CE2' ' A' ' 73' ' ' PHE . 53.8 Cg_endo -69.71 167.69 70.0 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.366 0.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.598 ' CD1' HG23 ' A' ' 123' ' ' ILE . 12.8 mt -119.81 102.28 8.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.678 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 6.5 t80 -95.47 120.13 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.21 167.53 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.408 ' C ' HD12 ' A' ' 137' ' ' ILE . 68.3 mt -133.93 139.99 47.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 136' ' ' ILE . 4.7 mp -140.02 134.02 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.681 ' HA ' HD22 ' A' ' 57' ' ' LEU . 13.9 ptt? -114.02 -35.2 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -52.3 174.67 0.19 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.9 ptpp? -85.41 -179.84 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -45.38 -52.69 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 27.1 p -77.76 -51.27 10.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.443 ' H ' ' CG ' ' A' ' 140' ' ' LYS . 6.6 t -75.28 11.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 140' ' ' LYS . 28.9 t-20 -54.77 122.39 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -145.13 147.92 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 74.6 t -80.39 117.07 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.542 HD21 ' SD ' ' A' ' 138' ' ' MET . 10.7 mp -78.09 -59.91 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -126.08 154.81 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 98.5 t -127.95 115.44 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 154' ' ' THR . 18.2 mt -100.94 117.91 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.62 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 158.77 -19.17 0.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -80.24 6.83 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.477 ' HB ' ' CG2' ' A' ' 150' ' ' ILE . 3.1 t -61.14 176.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 10.8 p -118.78 151.97 37.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 157' ' ' ASP . 10.6 p -48.04 -45.4 12.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.529 ' N ' HG13 ' A' ' 156' ' ' VAL . 24.0 m-20 -59.12 -45.76 90.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -51.11 -50.64 58.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 77' ' ' MET . 84.5 mt -39.63 -61.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.633 ' CE ' HD13 ' A' ' 83' ' ' ILE . 32.2 tpp -47.18 -48.19 23.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.2 mtt -59.63 -49.88 76.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -56.72 -46.32 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.82 -56.41 13.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 5.6 mmt -46.0 -59.49 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -48.3 -45.21 34.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ALA . . . . . 0.622 ' HB1' HD13 ' A' ' 57' ' ' LEU . . . -54.4 -35.96 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 76.3 mmm -69.44 -62.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 9.0 pt-20 -50.69 -41.73 56.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.481 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 54.7 mt -66.95 -46.29 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.551 ' CE2' ' OE1' ' A' ' 174' ' ' GLN . 58.4 t80 -45.39 -66.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.725 HG23 ' H ' ' A' ' 172' ' ' ALA . 1.5 t -54.94 -61.03 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.725 ' H ' HG23 ' A' ' 171' ' ' THR . . . -44.67 -28.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -79.77 -68.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.551 ' OE1' ' CE2' ' A' ' 170' ' ' PHE . 6.1 pt20 -44.43 -37.53 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -78.11 130.99 37.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 52.21 38.26 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -68.86 -46.43 68.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.876 0.37 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -92.25 147.31 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.37 127.95 33.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -84.88 125.17 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -84.03 -48.41 9.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' OE2' ' CH2' ' A' ' 96' ' ' TRP . 0.9 OUTLIER -57.02 -48.47 78.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.75 -57.87 2.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' HA ' HD12 ' A' ' 18' ' ' LEU . 3.5 m-20 -49.43 -55.07 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.87 -53.65 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 17' ' ' LEU . 17.4 mt -59.21 -51.47 69.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.783 ' HG ' HD12 ' A' ' 37' ' ' ILE . 6.2 mt -38.13 -51.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.44 -64.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' HE2' ' CE2' ' A' ' 35' ' ' PHE . 3.7 t80 -45.3 -35.46 3.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -68.03 -67.19 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.97 -41.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' PHE . 68.5 mm-40 -75.97 -61.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' GLU . 53.1 t80 -36.31 -51.96 0.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.425 ' HB2' ' NE2' ' A' ' 32' ' ' HIS . 10.7 t -70.37 -53.14 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -56.55 -18.14 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -97.96 -63.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 27' ' ' ARG . 50.1 m-85 -66.4 -67.78 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.66 -168.67 41.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -103.03 -11.47 18.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.9 m -80.37 17.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 25' ' ' SER . 0.5 OUTLIER -95.36 158.5 34.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 110.9 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.506 ' HG3' ' CD2' ' A' ' 78' ' ' LEU . 53.6 Cg_endo -69.75 104.02 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.3 t -52.74 105.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.536 ' HA ' HG22 ' A' ' 93' ' ' THR . 25.2 m-85 -63.99 154.8 33.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -91.14 120.38 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.783 HD12 ' HG ' ' A' ' 18' ' ' LEU . 32.2 mm -68.43 112.32 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.77 -172.89 32.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 p -92.09 168.56 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.084 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 20.4 tp -69.9 -48.88 56.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -48.99 -36.49 17.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -74.05 -55.04 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -33.6 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 99.5 m-85 -60.77 -54.73 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' ALA . 10.7 pt20 -60.59 -23.92 65.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -78.95 -9.23 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.59 -36.93 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -97.81 -57.85 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -77.99 11.39 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -79.0 161.55 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -52.18 140.38 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.38 -36.34 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -78.28 -40.67 36.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.51 15.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 16.8 mtt180 -52.88 134.14 37.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -155.62 177.39 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.634 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 21.1 mt -112.06 168.52 9.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 37.5 tp -106.95 131.87 53.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.18 107.38 7.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 137' ' ' ILE . 41.5 mt -90.72 136.57 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 134' ' ' PHE . 10.7 t80 -128.58 123.1 32.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.927 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 88.9 mt -91.2 123.22 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -107.5 119.47 39.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 14.1 t-80 -127.33 117.01 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' GLU . 84.3 m-20 -62.2 -58.69 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 49.4 mt-10 -37.64 -42.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -52.74 146.53 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 69' ' ' LEU . 35.3 m -89.13 -41.35 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' N ' HG23 ' A' ' 68' ' ' VAL . 23.1 mt -61.03 -47.44 86.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.458 ' CA ' ' HD3' ' A' ' 132' ' ' PRO . 22.7 m -46.32 -41.89 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -49.78 -60.26 3.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG23 ' N ' ' A' ' 73' ' ' PHE . 29.8 m -71.25 -50.01 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' N ' HG23 ' A' ' 72' ' ' VAL . 12.1 t80 -53.98 -15.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.455 ' HA ' HD12 ' A' ' 78' ' ' LEU . 3.0 m -79.8 -53.35 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.434 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 18.7 m -92.54 -8.08 45.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.813 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 51.5 mm-40 -98.37 -55.91 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -89.96 -70.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.506 ' CD2' ' HG3' ' A' ' 33' ' ' PRO . 11.3 mt -40.61 -23.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -81.64 17.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.659 ' CB ' HD12 ' A' ' 83' ' ' ILE . . . -82.15 102.01 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HA ' HG22 ' A' ' 84' ' ' VAL . 4.4 mp0 -58.72 -59.13 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -48.56 -33.51 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.659 HD12 ' CB ' ' A' ' 80' ' ' ALA . 69.0 mt -79.03 -71.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 80' ' ' ALA . 32.8 m -36.58 -32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 83' ' ' ILE . 37.9 m -70.57 -50.54 36.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.505 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 10.2 t80 -72.02 -48.51 44.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 91' ' ' PHE . 8.2 tp -57.69 -34.62 69.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.3 p -83.23 -41.97 17.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -74.06 -61.63 1.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.505 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 12.1 m120 -68.18 -54.58 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.634 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -98.92 174.53 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.3 mm -100.05 127.9 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 35' ' ' PHE . 37.2 m -86.33 124.09 32.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.084 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 12.5 t90 -152.58 113.3 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -112.04 171.0 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.062 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.473 ' CH2' ' OE2' ' A' ' 13' ' ' GLU . 71.7 t-105 -157.69 123.36 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -86.11 123.42 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 104' ' ' ARG . 5.4 mp -113.01 10.3 18.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.2 m -50.19 -46.13 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -83.65 126.27 32.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -39.49 -42.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -53.41 -55.67 23.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -63.12 -45.5 91.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.678 ' HA ' HD23 ' A' ' 98' ' ' LEU . 8.7 tpt180 -39.1 -49.03 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -67.07 -49.02 66.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 105' ' ' ALA . 47.9 mmt-85 -34.6 -59.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.927 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 33.2 t80 -51.47 -45.4 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' ALA . 72.2 mt -62.41 -47.05 85.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.5 m -57.75 -56.2 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 22.4 ptp -60.89 -40.03 91.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.8 m -66.52 -38.89 88.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 112' ' ' ASN . 0.5 OUTLIER -48.25 -37.22 15.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 113' ' ' ARG . 1.7 mmp_? -95.49 -53.22 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -40.39 -68.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CE1' HG12 ' A' ' 137' ' ' ILE . 16.9 m-85 -95.96 -45.57 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 142.06 165.48 10.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.1 m -62.42 -49.34 75.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.8 m -48.63 -36.37 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.6 t -73.59 -55.99 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.08 -47.51 22.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -57.74 -43.75 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 33.0 m -43.93 -43.56 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 86.6 mt -77.05 -42.1 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -48.43 -39.6 23.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 73.4 p -68.01 -38.77 82.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.435 ' OE1' ' NE2' ' A' ' 130' ' ' GLN . 31.2 mm-40 -54.48 124.0 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -63.75 175.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -63.18 -54.24 40.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' GLN . 6.6 m-20 -43.88 -47.29 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.45 ' HB3' HE22 ' A' ' 151' ' ' GLN . 17.8 mm-40 -36.12 -47.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.529 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 64.4 m-85 -53.68 155.64 5.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.8 Cg_endo -69.67 -176.18 12.08 Favored 'Cis proline' 0 C--O 1.233 0.229 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.368 -0.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.417 HD21 HE21 ' A' ' 151' ' ' GLN . 23.2 mt -144.32 106.81 4.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 61' ' ' TYR . 3.4 t80 -101.71 115.53 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 135' ' ' LEU . 3.9 mp -115.15 158.56 22.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.6 mt -131.4 113.52 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.542 HG12 ' CE1' ' A' ' 115' ' ' PHE . 5.1 mp -105.78 104.34 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.582 ' H ' HD13 ' A' ' 147' ' ' LEU . 27.8 ttp -97.95 -58.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 138' ' ' MET . . . 34.07 -140.08 0.12 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.434 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -123.08 177.9 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.427 ' CD ' ' H ' ' A' ' 141' ' ' ARG . 1.5 mpt_? -44.97 -50.43 10.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 46.7 t -93.48 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.8 t -58.31 156.77 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -160.36 151.9 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -167.77 163.68 14.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.2 t -80.23 115.43 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.582 HD13 ' H ' ' A' ' 138' ' ' MET . 6.9 mp -89.24 -59.66 2.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -109.73 146.78 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.07 102.44 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.576 HD13 HD23 ' A' ' 159' ' ' LEU . 50.6 mt -98.35 138.4 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.45 HE22 ' HB3' ' A' ' 130' ' ' GLN . 0.6 OUTLIER -92.53 -37.97 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 134.27 -29.6 3.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 1.3 t-20 -67.75 -2.88 7.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.1 t -65.13 165.41 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 156' ' ' VAL . 30.9 p -93.73 141.84 28.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.436 HG22 ' SD ' ' A' ' 77' ' ' MET . 88.7 t -36.86 -45.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 158' ' ' GLU . 3.5 t0 -61.75 -59.05 5.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 157' ' ' ASP . 7.3 mt-10 -38.04 -47.89 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.576 HD23 HD13 ' A' ' 150' ' ' ILE . 25.9 mt -45.65 -58.15 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 16.9 ttm -51.17 -54.59 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 162' ' ' ARG . 7.5 mtt -43.09 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 161' ' ' MET . 10.9 mmp_? -36.41 -56.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.87 -55.76 30.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 35.2 mtp -48.29 -38.96 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.5 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.42 -46.02 67.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -54.89 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 7.7 pt-20 -51.2 -33.24 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 84.6 mt -79.02 -37.76 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -55.61 -59.45 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 172' ' ' ALA . 2.9 t -50.42 -58.08 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.657 ' H ' HG23 ' A' ' 171' ' ' THR . . . -52.8 -45.66 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -57.54 -49.96 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -65.03 176.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -71.08 161.36 31.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -151.46 120.46 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -53.28 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 72.6 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.888 0.375 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -139.01 153.27 48.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.48 170.41 15.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -98.92 158.57 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.7 m-20 -84.33 14.24 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' OE1' ' CH2' ' A' ' 96' ' ' TRP . 0.7 OUTLIER -45.39 -42.84 10.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.49 -64.39 3.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -43.1 -45.94 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.02 11.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.4 mt -49.3 -53.17 23.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mt -39.4 -48.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.7 -54.78 41.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -53.33 -48.28 68.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.1 m -53.89 -50.94 65.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 24' ' ' PHE . 8.1 pt-20 -52.54 -37.35 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.459 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 28.5 t80 -57.37 -39.04 75.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.7 t -45.09 -44.93 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.3 t -91.41 -40.34 11.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.547 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -39.08 -59.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE2' ' HD2' ' A' ' 27' ' ' ARG . 62.1 m-85 -116.67 -37.92 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.5 173.21 20.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 m-20 -69.28 -37.32 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.311 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.7 m -52.04 103.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.453 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 2.5 p80 -168.24 152.01 5.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.46 ' HD3' HG11 ' A' ' 84' ' ' VAL . 54.1 Cg_endo -69.76 136.37 32.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -52.04 102.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -75.72 129.21 36.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 5.8 t80 -71.85 127.79 33.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.6 mm -89.65 105.93 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.02 -171.64 33.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 40' ' ' LEU . 78.0 p -92.94 142.18 27.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.953 0.406 . . . . 0.0 110.857 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.628 HD11 HD21 ' A' ' 58' ' ' LEU . 13.5 tp -34.4 -41.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 17.2 mt-10 -36.73 -51.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . -62.53 -56.1 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.091 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.64 -37.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -61.99 -60.76 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.59 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 5.3 pt20 -53.74 -46.65 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' HG11 ' A' ' 50' ' ' VAL . 17.2 tt0 -68.92 1.67 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.03 -32.2 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -117.97 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 45' ' ' GLN . 3.0 m-85 -79.81 18.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 54' ' ' ASP . 34.4 m -93.52 171.87 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -53.61 140.44 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.34 -35.05 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -83.69 -33.46 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 50' ' ' VAL . 9.3 t0 -82.05 17.95 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -57.55 122.7 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -137.56 168.91 18.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 56.9 mt -114.35 162.42 16.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.628 HD21 HD11 ' A' ' 40' ' ' LEU . 56.8 tp -104.41 140.11 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.61 105.13 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.25 134.57 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 78' ' ' LEU . 7.4 t80 -127.08 108.1 10.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB3' HD13 ' A' ' 98' ' ' LEU . 24.0 mt -80.36 118.94 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -100.75 110.39 22.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 13.4 t-80 -117.03 115.01 24.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' GLU . 1.3 m-20 -58.68 -60.19 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' ASP . 15.2 mt-10 -33.85 -44.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.2 t -52.25 159.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 m -106.0 -31.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.91 -24.43 65.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.8 m -68.82 -38.41 79.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -50.53 -45.8 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLN . 30.4 m -90.28 -39.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 17.0 t80 -64.25 -12.46 41.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 15.6 p -94.3 -37.16 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.434 ' C ' ' HB2' ' A' ' 79' ' ' CYS . 47.2 p -97.9 -11.51 23.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 18.5 mm-40 -102.6 -55.61 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.654 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -81.58 -67.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.474 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 14.1 mt -49.8 -56.78 9.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.434 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.2 m -55.35 -28.25 52.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 77' ' ' MET . . . -52.03 109.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.454 ' HA ' HG22 ' A' ' 84' ' ' VAL . 42.2 mm-40 -60.86 -50.39 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -47.81 -41.49 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.66 -70.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 34.8 m -40.3 -38.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 t -56.25 -44.51 79.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.433 ' CE1' ' CB ' ' A' ' 90' ' ' ASN . 8.7 t80 -83.19 -44.58 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' PHE . 12.4 tp -59.44 -33.63 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 p -83.01 -43.53 16.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -70.74 -59.86 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.433 ' CB ' ' CE1' ' A' ' 86' ' ' TYR . 2.9 m-80 -69.84 -51.44 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 56.0 m-85 -105.44 178.18 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 37.0 mm -105.84 128.67 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.3 m -79.89 122.1 26.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.619 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 14.1 t90 -151.75 102.03 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.64 154.1 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.555 ' CH2' ' OE1' ' A' ' 13' ' ' GLU . 77.2 t-105 -141.19 134.52 29.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -91.54 125.43 36.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 62' ' ' LEU . 5.0 mp -117.93 13.61 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.8 m -56.51 -40.66 75.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 100' ' ' LYS . 1.8 mppt? -77.66 145.0 36.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -57.16 -48.08 79.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -62.44 -47.7 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.424 ' ND2' ' HE2' ' A' ' 100' ' ' LYS . 10.1 m-20 -55.73 -59.77 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.3 ttt-85 -38.19 -60.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -59.82 -43.07 94.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -40.93 -53.69 2.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' A' ' 62' ' ' LEU . 28.3 t80 -68.62 -48.62 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 105' ' ' ALA . 16.2 mt -38.84 -58.73 1.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.7 m -51.45 -54.31 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 13.7 mtm -49.25 -51.53 32.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.2 t -45.05 -44.1 9.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.412 ' HA ' ' C ' ' A' ' 116' ' ' GLY . 60.1 t-20 -72.76 -58.75 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.4 ttt-85 -45.74 -38.49 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -86.28 -66.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -79.42 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.412 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 150.72 170.61 18.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 118' ' ' VAL . 1.3 t -59.42 -56.7 18.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.966 0.413 . . . . 0.0 110.858 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 117' ' ' SER . 5.8 p -36.78 -37.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.8 t -77.91 -53.09 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.16 -49.47 66.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -48.31 -45.73 35.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.2 m -48.1 -50.31 28.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.42 HD13 ' HE2' ' A' ' 107' ' ' PHE . 82.8 mt -67.72 -47.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -50.72 -43.51 57.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.1 p -69.13 -36.09 77.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -56.67 126.33 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -66.62 174.45 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 90.2 m -65.09 -52.92 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 130' ' ' GLN . 1.1 m-20 -48.14 -47.12 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' ASP . 76.9 mm-40 -36.62 -43.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 64' ' ' HIS . 15.4 m-85 -53.37 156.99 3.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.673 0.749 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.3 Cg_endo -69.77 178.55 25.07 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.3 0.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.1 mt -131.71 105.33 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -101.27 115.47 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 mp -115.06 151.11 34.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.5 mt -114.17 112.25 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 50.9 mm -93.32 119.48 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.449 ' HB3' HD22 ' A' ' 147' ' ' LEU . 4.2 ttp -144.66 117.32 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -167.25 -141.79 3.27 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 141' ' ' ARG . 15.7 tptm -119.63 156.74 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.446 ' N ' ' HG3' ' A' ' 140' ' ' LYS . 32.9 ttm180 -43.1 -49.12 6.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.6 m -42.3 -62.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.6 m -154.91 156.72 36.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -128.59 160.49 32.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -148.17 148.35 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 83.4 t -64.95 114.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 138' ' ' MET . 9.8 mp -86.34 -61.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.32 135.13 55.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 85.5 t -114.97 118.86 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.444 HD11 ' HD2' ' A' ' 162' ' ' ARG . 57.7 mt -115.38 132.32 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -99.8 178.43 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -81.69 29.25 3.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.0 15.43 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.8 t -106.69 171.08 7.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 33.6 p -90.16 132.47 35.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.5 ' HA ' HD12 ' A' ' 159' ' ' LEU . 14.8 p -38.15 -37.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -52.62 57.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.25 -35.84 3.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 156' ' ' VAL . 59.3 mt -58.34 -39.55 79.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.53 -57.42 13.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 7.1 ptp -61.1 -36.62 80.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 161' ' ' MET . 57.5 mmt-85 -63.81 -46.75 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 67.2 mt -59.58 -55.07 39.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 45.4 mtt -48.98 -44.52 41.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 168' ' ' GLU . . . -48.59 -61.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -46.91 -33.81 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 21.9 mtp -73.73 -67.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 11.2 pt-20 -42.3 -37.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 69.7 mt -62.78 -41.29 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -67.87 -41.17 83.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 11.2 p -72.97 -36.65 67.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -75.51 -53.04 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.509 ' HG3' ' N ' ' A' ' 174' ' ' GLN . 9.9 pt20 -40.52 -33.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.509 ' N ' ' HG3' ' A' ' 173' ' ' GLN . 28.2 mt-30 -58.25 -55.59 32.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -82.14 17.6 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -103.9 105.6 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -89.37 -56.51 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -83.44 139.1 33.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.59 175.85 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 51.93 41.35 29.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 15' ' ' ASP . 15.8 p-10 -74.64 105.09 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.58 ' OE2' ' CH2' ' A' ' 96' ' ' TRP . 6.0 mm-40 -40.04 -42.56 1.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -38.47 -65.72 0.7 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' GLY . 18.1 t70 -35.38 -54.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.75 73.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' GLY . 91.7 mt -64.22 -52.22 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -42.72 -49.88 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -53.55 -45.84 70.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -67.55 -62.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p -39.52 -46.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 -60.07 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.61 -46.32 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 2.8 t80 -63.15 -50.62 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.5 t -47.83 -41.06 22.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 t -80.49 -60.23 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -45.52 -57.52 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.448 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 33.4 m-85 -81.46 -61.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 157.01 -178.44 33.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.23 -42.84 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.3 m -53.01 103.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -168.01 153.82 6.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' CD ' HD22 ' A' ' 78' ' ' LEU . 53.4 Cg_endo -69.82 142.46 47.76 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.272 . . . . 0.0 112.353 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.32 117.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -96.87 116.47 29.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB1' ' A' ' 42' ' ' ALA . 4.3 t80 -58.16 106.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.9 mm -79.02 110.64 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.4 -135.38 4.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.0 p -107.24 157.91 17.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.871 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 62.8 tp -59.98 -41.17 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -54.86 -40.67 69.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.577 ' HB1' ' CZ ' ' A' ' 36' ' ' PHE . . . -52.03 -50.32 61.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.48 -55.81 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 95.9 m-85 -51.27 -43.22 61.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 32.0 mt-30 -61.89 -49.09 77.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 19.1 tt0 -70.12 5.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.96 -34.1 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -118.0 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 19.7 m-85 -78.64 17.94 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 46' ' ' GLU . 35.9 m -105.25 168.28 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -52.33 146.91 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.469 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . . . -54.58 -43.96 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -68.44 -43.46 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.67 17.89 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 41.2 mtp85 -61.06 146.38 47.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 55' ' ' ARG . 77.9 mttt -151.69 177.97 9.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.832 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 55.8 mt -111.97 165.31 12.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 24.8 tp -104.54 137.99 41.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -136.21 106.23 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.123 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.6 HD11 ' HZ ' ' A' ' 115' ' ' PHE . 26.4 mt -78.61 128.88 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 53.2 t80 -108.8 115.2 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 133' ' ' LEU . 87.7 mt -93.36 102.34 14.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.406 ' CE1' ' OH ' ' A' ' 28' ' ' TYR . 77.8 t60 -88.81 134.26 33.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.621 ' CD2' ' HB2' ' A' ' 66' ' ' GLU . 1.6 t60 -142.69 102.05 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' GLU . 9.1 t70 -58.23 -51.26 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.621 ' HB2' ' CD2' ' A' ' 64' ' ' HIS . 10.2 mt-10 -37.32 -41.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.2 t -67.48 147.52 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.1 m -86.66 -32.45 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 16.8 mt -61.28 -29.44 69.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.45 HG22 ' SG ' ' A' ' 74' ' ' CYS . 28.1 m -67.59 -36.47 80.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -52.57 -50.15 63.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' GLN . 16.8 m -86.67 -38.14 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 18.4 t80 -61.2 -11.72 10.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 33.8 m -93.14 -38.04 11.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.438 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 15.2 m -101.43 -4.08 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' VAL . 72.8 mm-40 -109.62 -43.06 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.585 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -96.77 -48.31 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 17.3 mt -76.49 18.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.3 m -112.09 -27.56 8.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.821 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -56.03 102.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 85' ' ' SER . 12.5 pt-20 -50.25 -36.93 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.8 p -67.38 -43.45 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 92.7 mt -74.58 -60.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 80' ' ' ALA . 29.8 m -50.31 -35.18 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 12.7 t -81.7 -63.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 3.7 t80 -46.62 -41.84 15.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' PHE . 4.0 tp -68.08 -42.9 79.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.4 m -65.74 -35.63 81.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -80.96 -60.61 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -64.87 -39.88 94.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.832 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 5.7 m-85 -118.7 173.48 6.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.7 mm -108.77 106.26 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.9 m -77.45 121.55 23.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.871 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 50.4 t90 -150.66 131.77 14.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.25 161.7 19.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CH2' ' OE2' ' A' ' 13' ' ' GLU . 25.4 t-105 -112.88 -7.27 13.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.6 t70 52.32 47.93 23.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.495 HD22 HD22 ' A' ' 62' ' ' LEU . 1.7 pt? -77.01 13.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.3 m -43.43 -38.73 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -80.43 152.13 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 102' ' ' SER . 4.6 p30 -57.71 -53.97 52.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' ASP . 51.1 m -37.51 -59.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 76.0 m-20 -57.63 -49.39 76.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 103' ' ' ASN . 6.9 tmm_? -34.89 -46.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.97 -49.22 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 53.3 mtt-85 -51.85 -53.46 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -52.12 -38.87 58.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.406 HD22 ' HB1' ' A' ' 120' ' ' ALA . 20.9 mt -67.28 -46.67 72.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -64.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 11.6 ptp -46.82 -35.32 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 110' ' ' MET . 6.2 m -68.31 -45.44 72.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -45.79 -36.15 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -84.19 -52.36 6.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -60.41 -65.14 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.668 ' HB2' HG11 ' A' ' 119' ' ' VAL . 33.7 m-85 -90.61 -68.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.437 ' O ' HG12 ' A' ' 119' ' ' VAL . . . 159.54 -176.19 36.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' ALA . 30.6 t -78.11 -47.47 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.376 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.3 t -42.69 -51.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.668 HG11 ' HB2' ' A' ' 115' ' ' PHE . 11.2 p -60.85 -29.63 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 117' ' ' SER . . . -72.68 -52.61 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -59.76 -45.03 93.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.1 m -51.41 -44.14 62.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.59 -51.39 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -44.41 -39.35 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 78.5 p -70.44 -36.11 73.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.44 ' OE1' HD21 ' A' ' 133' ' ' LEU . 33.8 mt-30 -55.54 127.61 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 3.4 mptp? -58.06 175.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 52.9 m -75.51 -59.57 2.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.8 -42.15 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 130' ' ' GLN . 1.0 OUTLIER -37.84 -42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.525 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 25.3 m-85 -52.04 156.63 2.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.5 Cg_endo -69.74 156.26 92.81 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.352 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.627 ' HB2' HD12 ' A' ' 62' ' ' LEU . 21.0 mt -106.78 102.0 11.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.542 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 2.7 t80 -94.99 118.99 32.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 135' ' ' LEU . 5.0 mp -118.38 148.92 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 26.2 mt -112.08 109.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 40.0 mm -94.48 138.58 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 7.0 ttt -147.14 132.07 18.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 148.84 -137.11 6.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 144' ' ' ASN . 18.6 tptt -118.59 163.12 17.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 142' ' ' SER . 17.6 ptt180 -36.81 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 16.8 m -116.08 -33.14 5.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 t -77.32 9.33 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 19.1 m120 -60.74 136.99 58.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -146.2 173.02 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.06 123.82 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.9 mt -95.88 -61.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -116.38 141.69 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.11 111.65 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.6 mt -100.0 121.34 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 130' ' ' GLN . 65.4 mt-30 -60.67 -56.16 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 145.6 -25.03 1.82 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -80.44 15.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.0 t -77.7 166.44 22.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 47.6 p -86.08 135.24 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 157' ' ' ASP . 7.7 p -41.44 -42.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.436 ' N ' HG13 ' A' ' 156' ' ' VAL . 1.8 m-20 -60.28 -48.21 82.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -49.92 -43.57 49.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.53 -50.52 65.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 2.7 tpt -51.61 -44.56 62.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.7 mmt -68.89 -53.62 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -41.95 -51.7 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 70.5 mt -59.69 -61.33 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 56.4 mmm -42.67 -44.88 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.56 56.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -45.63 -42.19 11.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 2.7 mtp -61.39 -44.16 97.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -54.58 -53.71 50.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.06 -41.1 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -63.45 -61.86 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 25.4 p -42.98 -50.74 5.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -68.15 -45.33 73.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 174' ' ' GLN . 3.0 tp-100 -48.72 -46.31 40.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 173' ' ' GLN . 37.9 mt-30 -35.22 -50.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -95.54 172.76 7.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -117.41 104.71 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -76.55 -60.37 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.803 ' H ' HD12 ' A' ' 178' ' ' ILE . 4.9 mp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' GLY . 21.5 mt-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.922 0.392 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -35.13 -70.56 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -49.41 -52.12 30.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.9 -44.63 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.94 -44.8 75.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt -46.91 -61.4 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -42.82 -43.16 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -67.86 -55.93 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.5 p -51.9 -37.91 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.195 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.08 71.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -66.41 -55.54 15.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 9.2 t80 -47.98 -37.27 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -53.55 -57.32 11.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.796 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -72.9 -50.86 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -39.77 -61.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.59 -61.82 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.81 174.86 35.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -63.99 -45.38 89.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.4 m -58.01 110.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -167.08 152.84 7.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.45 ' HG3' HD22 ' A' ' 78' ' ' LEU . 53.8 Cg_endo -69.81 130.28 19.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.7 t -52.3 111.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -87.1 122.7 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -63.98 123.38 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.5 mm -95.18 114.59 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.62 -153.28 24.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -98.93 136.86 38.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.672 HD13 ' CH2' ' A' ' 94' ' ' TRP . 26.6 tp -43.43 -39.0 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -48.06 -45.04 31.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.61 90.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.99 -20.66 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -91.19 -56.05 3.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 4.6 pp0? -56.75 -41.92 78.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 5.5 tp10 -69.41 -7.28 36.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.37 -51.52 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 138' ' ' MET . 9.8 m-85 -97.98 -52.03 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 23.4 m-85 -72.93 7.28 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 51' ' ' LYS . 1.5 p -75.55 172.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.584 ' H ' HG22 ' A' ' 50' ' ' VAL . 5.3 mtmp? -52.55 129.2 28.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.13 -22.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' LYS . 20.3 tpt180 -90.85 -40.67 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.475 ' O ' HG11 ' A' ' 50' ' ' VAL . 2.7 m-20 -85.42 17.73 3.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 11.9 mtp180 -54.75 132.26 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 90' ' ' ASN . 8.5 mtmp? -151.51 177.48 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 137' ' ' ILE . 46.6 mt -112.09 158.6 19.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 59' ' ' ALA . 6.1 tp -104.63 151.14 24.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.706 ' HB1' ' CZ ' ' A' ' 134' ' ' PHE . . . -141.91 105.12 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.2 mt -77.63 122.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.574 ' CE2' HD11 ' A' ' 78' ' ' LEU . 49.8 t80 -108.28 102.07 11.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.691 HD22 HD22 ' A' ' 98' ' ' LEU . 74.1 mt -78.73 123.9 27.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -106.22 113.07 26.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -121.63 115.7 23.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' GLU . 10.7 t70 -59.25 -54.74 43.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' ASP . 56.8 mt-10 -37.55 -40.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.0 t -61.05 139.54 58.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.1 m -83.58 -25.3 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' ASN . 13.2 mt -76.38 -48.17 20.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 92.1 m -36.47 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 69' ' ' LEU . 74.2 m-20 -72.54 -61.23 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.61 HG23 ' N ' ' A' ' 73' ' ' PHE . 19.8 m -67.87 -50.99 54.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.61 ' N ' HG23 ' A' ' 72' ' ' VAL . 9.6 t80 -43.94 -32.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 9.2 m -65.87 -53.61 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.435 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 83.4 p -88.76 -1.06 57.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' VAL . 41.6 mm-40 -97.97 -56.29 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 79' ' ' CYS . 8.2 mmt -98.03 -47.26 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 61' ' ' TYR . 39.5 mt -76.77 17.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.435 ' HB3' ' C ' ' A' ' 75' ' ' SER . 22.2 p -102.33 -27.75 12.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -63.98 148.74 48.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -85.35 -38.84 18.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.5 m -66.52 -38.86 88.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.7 mm -69.04 -49.07 65.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 85' ' ' SER . 35.8 m -66.68 -45.19 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.494 ' N ' HG23 ' A' ' 84' ' ' VAL . 19.5 m -63.24 -45.95 89.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.472 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 9.8 t80 -69.62 -50.3 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.4 -34.14 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 p -82.64 -45.29 14.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.24 -61.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.501 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 7.4 m-80 -66.76 -54.57 21.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -101.05 175.26 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.6 mm -103.0 106.83 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.403 HG21 ' HB2' ' A' ' 33' ' ' PRO . 92.1 m -75.1 121.58 22.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.672 ' CH2' HD13 ' A' ' 40' ' ' LEU . 34.0 t90 -143.43 127.21 17.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.72 149.85 36.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 77.4 t-105 -143.79 112.95 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.92 106.5 7.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.691 HD22 HD22 ' A' ' 62' ' ' LEU . 1.9 pt? -112.18 17.34 19.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.5 m -44.83 -68.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -63.63 146.3 54.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 102' ' ' SER . 5.6 p-10 -50.42 -51.57 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 101' ' ' ASP . 1.4 t -37.11 -53.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.418 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 34.9 m120 -71.18 -42.75 68.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -45.51 -60.18 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -56.83 -54.09 50.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 105' ' ' ALA . 58.1 mtt-85 -37.3 -62.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.416 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 63.5 t80 -48.79 -54.54 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.447 ' CD2' ' HB1' ' A' ' 120' ' ' ALA . 12.1 mt -48.71 -46.0 40.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.2 m -60.78 -45.87 92.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 25.8 mtm -61.24 -55.84 27.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.416 ' SG ' ' CZ ' ' A' ' 107' ' ' PHE . 1.8 m -58.31 -40.0 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -42.66 -42.55 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -94.44 -61.92 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -41.13 -54.01 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.428 ' HB3' HG21 ' A' ' 119' ' ' VAL . 2.1 m-85 -95.32 -60.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.52 179.01 31.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 85.8 p -80.45 -39.56 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 17.7 m -63.39 -21.98 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 115' ' ' PHE . 95.5 t -80.94 -58.46 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 108' ' ' LEU . . . -51.32 -54.92 21.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -43.1 -50.2 6.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.5 m -47.05 -52.5 14.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.8 mm -48.76 -40.54 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -59.33 -44.06 92.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.5 p -69.97 -41.73 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.479 ' OE1' ' NE2' ' A' ' 130' ' ' GLN . 15.8 mm-40 -52.31 114.86 1.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 176.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 21.2 m -82.82 -42.66 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.22 -46.41 72.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.479 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 14.0 mt-30 -39.36 -40.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.522 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 50.0 m-85 -52.11 156.62 2.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.6 Cg_endo -69.79 152.52 92.46 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.315 -0.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.82 103.02 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.706 ' CZ ' ' HB1' ' A' ' 59' ' ' ALA . 8.1 t80 -91.57 114.73 27.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.41 154.0 26.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 67.7 mt -126.28 128.61 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 137' ' ' ILE . 3.6 mp -112.26 143.81 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.906 ' HB2' HD11 ' A' ' 147' ' ' LEU . 20.6 ttt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -129.68 145.09 51.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.9 152.12 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.906 HD11 ' HB2' ' A' ' 138' ' ' MET . 46.9 mt -108.05 -37.47 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -137.97 143.17 40.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 97.0 t -131.84 103.8 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 25.7 mt -91.17 135.64 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.163 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -61.06 -66.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 159.32 -27.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.04 16.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.529 HG21 HD21 ' A' ' 159' ' ' LEU . 6.5 t -70.34 173.26 7.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 158' ' ' GLU . 61.4 p -101.48 129.8 47.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 155' ' ' THR . 1.0 OUTLIER -35.88 -35.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.83 -46.45 87.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 155' ' ' THR . 13.7 mt-10 -54.88 -38.75 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 154' ' ' THR . 37.7 mt -58.06 -42.29 85.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -55.52 -57.9 9.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 20.0 ptt? -63.18 -42.7 99.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 161' ' ' MET . 14.5 mmt85 -56.81 -41.96 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.76 -59.4 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 26.2 mtt -50.36 -45.27 55.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -57.16 -51.19 70.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -46.57 -32.41 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 7.5 mtp -71.08 -61.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 16.9 pt-20 -54.99 -36.56 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.442 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 74.7 mt -67.04 -49.39 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.41 -57.79 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.899 0.381 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.71 -48.87 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.631 ' HA ' HD12 ' A' ' 18' ' ' LEU . 6.6 t70 -58.82 -50.95 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.818 0.342 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.62 -62.63 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 18' ' ' LEU . 79.3 mt -54.53 -52.8 60.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 15' ' ' ASP . 15.1 mt -32.98 -45.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -66.01 -51.48 57.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 15.8 t80 -56.67 -47.93 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.8 m -59.67 -51.58 69.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.13 -59.96 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.13 -43.99 82.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -50.32 -34.64 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' GLY . 43.2 m -54.21 -60.27 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.0 t -71.4 -33.3 69.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -41.46 -62.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CZ ' ' SG ' ' A' ' 74' ' ' CYS . 69.3 m-85 -112.18 -37.87 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 160.89 162.34 12.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 5.5 p-10 -57.76 -40.74 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -52.12 108.16 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 1.6 p80 -167.98 152.04 6.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.5 Cg_endo -69.78 124.64 11.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.1 p -52.11 108.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CD2' HG22 ' A' ' 93' ' ' THR . 92.5 m-85 -81.61 145.45 30.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.2 t80 -85.06 114.86 22.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.5 mm -69.58 107.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.85 -153.36 24.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 t -119.51 153.81 34.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD11 HD21 ' A' ' 58' ' ' LEU . 13.4 tp -41.96 -40.58 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -51.53 67.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.608 ' HB1' ' NE2' ' A' ' 45' ' ' GLN . . . -60.06 -57.48 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.1 -46.32 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -49.92 -41.2 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.608 ' NE2' ' HB1' ' A' ' 42' ' ' ALA . 2.5 pt20 -59.99 -24.68 64.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HA ' HG13 ' A' ' 50' ' ' VAL . 5.8 tp10 -108.74 9.42 26.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.99 -66.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 13.9 m-85 -113.57 -37.92 4.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 4.4 m-30 -44.09 -39.12 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.446 HG13 ' HA ' ' A' ' 46' ' ' GLU . 26.8 m -63.03 166.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.462 ' CD ' ' HG2' ' A' ' 53' ' ' ARG . 2.9 ptpt -52.0 179.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . . . -80.26 -34.14 37.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.462 ' HG2' ' CD ' ' A' ' 51' ' ' LYS . 1.5 ptt180 -59.17 -25.43 63.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 32.8 p30 -117.77 16.38 14.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 12.7 mtp180 -61.14 138.18 58.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.418 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 75.9 mttt -148.32 176.95 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 138' ' ' MET . 6.3 mt -112.58 167.42 10.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.585 HD21 HD11 ' A' ' 40' ' ' LEU . 67.9 tp -105.08 144.38 31.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.11 112.86 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.478 ' CD1' HG13 ' A' ' 137' ' ' ILE . 5.3 mp -89.52 122.37 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -112.45 108.97 18.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.811 HD12 ' HB2' ' A' ' 133' ' ' LEU . 53.0 mt -82.47 129.1 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -116.71 128.33 55.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.406 ' ND1' ' HB2' ' A' ' 66' ' ' GLU . 11.2 t-80 -139.51 113.61 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.9 t70 -56.14 -56.18 24.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' ASP . 45.7 mm-40 -36.43 -45.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 t -55.06 145.56 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.7 m -87.14 -26.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.14 -30.36 63.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 89.7 m -61.24 -31.61 71.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 34.4 m120 -67.43 -52.14 43.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -74.52 -54.76 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 13.9 t80 -45.56 -19.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 72' ' ' VAL . 1.6 m -69.46 -67.0 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.418 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 78.3 p -88.27 -2.68 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 mm100 -97.96 -50.87 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.92 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 15.3 mt -46.97 -26.29 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.418 ' HB3' ' C ' ' A' ' 75' ' ' SER . 13.9 p -58.8 -37.63 76.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.06 115.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HA ' HG22 ' A' ' 84' ' ' VAL . 20.2 mt-10 -70.67 -44.19 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 44.4 p -50.69 -22.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' SER . 70.8 mt -94.79 -69.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 81' ' ' GLU . 19.9 m -38.3 -28.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' ILE . 22.7 t -85.27 -63.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 3.6 t80 -48.66 -45.16 38.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.11 -40.12 95.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.6 p -68.17 -38.75 82.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -78.77 -62.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.06 -43.89 97.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.737 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.0 m-85 -114.74 177.34 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.8 mm -102.13 120.76 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.514 HG22 ' CD2' ' A' ' 35' ' ' PHE . 94.5 m -74.62 120.13 19.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.573 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 5.7 t90 -153.42 120.9 5.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -123.34 166.5 15.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.556 ' O ' HD12 ' A' ' 98' ' ' LEU . 72.7 t-105 -151.59 122.79 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.591 ' OD1' ' CE2' ' A' ' 20' ' ' PHE . 1.8 m-20 -78.51 111.56 14.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 96' ' ' TRP . 5.2 mp -94.97 10.75 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -49.21 -45.86 45.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -82.22 138.8 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -52.09 -51.2 59.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.2 m -54.44 -54.21 43.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -54.35 -57.75 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -43.57 -59.63 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -56.34 -51.74 67.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 105' ' ' ALA . 60.4 ttt180 -36.43 -56.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -56.42 -53.48 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.3 mt -51.74 -43.11 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.6 m -63.81 -67.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.0 ptm -47.08 -46.35 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.438 ' HG ' ' HD1' ' A' ' 115' ' ' PHE . 4.0 t -46.81 -57.19 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 112' ' ' ASN . 25.2 t-20 -45.6 -49.79 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -51.91 -44.0 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -82.82 -68.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.537 ' HB3' HG21 ' A' ' 119' ' ' VAL . 88.1 m-85 -78.26 -68.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.57 166.92 12.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.554 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.5 t -58.53 -41.38 85.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 25.7 m -47.22 -24.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 115' ' ' PHE . 84.7 t -91.07 -63.17 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.26 -46.6 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 125' ' ' THR . 37.4 tt0 -53.68 -54.24 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 95.2 m -42.58 -32.83 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.461 HD13 HD11 ' A' ' 62' ' ' LEU . 88.9 mt -85.89 -50.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -51.29 -38.23 51.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 121' ' ' GLN . 4.8 t -72.48 -34.6 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -63.62 147.54 51.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -77.76 169.91 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 38.4 m -66.46 -36.85 83.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.69 -47.06 64.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -40.03 -46.36 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.542 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 70.4 m-85 -53.65 153.58 7.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.83 142.79 71.84 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.331 0.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.811 ' HB2' HD12 ' A' ' 62' ' ' LEU . 13.1 mt -96.44 104.71 16.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.58 114.55 27.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.3 mp -115.47 152.27 33.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 93.0 mt -113.07 110.97 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.48 HD12 ' CE2' ' A' ' 115' ' ' PHE . 28.8 mm -105.21 120.83 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.855 ' HA ' HD22 ' A' ' 57' ' ' LEU . 5.7 ptm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -152.11 162.63 40.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 67.4 t -93.75 130.02 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.07 -62.76 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.75 139.31 53.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 96.6 t -117.64 126.96 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 45.4 mt -118.08 106.68 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -42.69 -61.43 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 143.84 -19.8 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -79.58 11.79 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.0 t -77.53 177.65 7.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 158' ' ' GLU . 81.3 p -95.85 131.07 42.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.51 ' HA ' HD12 ' A' ' 159' ' ' LEU . 12.2 p -34.95 -35.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 155' ' ' THR . 7.4 m-20 -64.04 -50.08 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 155' ' ' THR . 6.1 mt-10 -48.68 -37.51 18.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 156' ' ' VAL . 11.1 mt -69.27 -47.32 64.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -53.24 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 162' ' ' ARG . 2.8 mmt -66.3 -55.25 16.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' MET . 1.3 mmp_? -38.14 -49.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.2 mt -47.91 -54.51 12.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.6 mmt -53.11 -58.96 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -42.56 -50.56 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -48.4 -40.81 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.605 ' O ' HG22 ' A' ' 171' ' ' THR . 5.1 mtp -69.57 -60.83 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -45.9 -42.65 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 30.8 mt -75.66 -49.34 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.621 ' CG ' HD21 ' A' ' 57' ' ' LEU . 28.1 t80 -42.67 -62.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 167' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' OE1' ' A' ' 13' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.932 0.396 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 15' ' ' ASP . . . -37.45 -62.96 0.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.461 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 14' ' ' GLY . 7.0 t70 -36.99 -56.4 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.42 -50.75 9.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.19 -52.09 66.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.1 mt -46.99 -41.08 15.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -66.43 -48.12 71.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -60.31 -53.94 51.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -39.3 -58.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.8 -55.35 31.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -48.85 -44.41 39.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.2 t80 -58.38 -37.05 74.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 m -73.21 -40.16 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.6 p -69.4 -40.59 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -78.36 -63.18 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 38.7 m-85 -78.36 -68.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.93 151.73 7.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -48.14 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.313 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.6 m -54.62 102.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -167.56 157.6 9.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.75 124.56 11.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.4 p -63.92 120.07 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 75.9 m-85 -82.25 145.26 30.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CD2' ' OE1' ' A' ' 46' ' ' GLU . 43.6 t80 -68.59 103.81 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.98 104.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' OE2' ' A' ' 13' ' ' GLU . . . 159.02 -164.3 33.69 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -89.53 144.56 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 8.9 tp -49.99 -24.5 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -56.46 -51.9 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -55.77 -51.01 68.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -35.64 -40.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -61.23 -44.13 97.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.548 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 5.3 pt20 -77.12 -45.94 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.621 ' OE1' ' CD2' ' A' ' 36' ' ' PHE . 27.8 tt0 -57.55 -9.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.97 -35.99 3.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 24.9 m-85 -97.72 -41.68 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.548 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 2.9 m-85 -77.69 16.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 46' ' ' GLU . 32.7 m -86.26 171.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.96 154.43 22.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.11 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -78.2 -39.2 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.57 15.31 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 43.9 mtm-85 -54.19 135.7 43.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 9.6 mtmp? -144.05 178.21 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.867 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 38.3 mt -112.02 175.33 5.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.4 tp -109.81 133.9 52.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.538 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -121.29 110.56 16.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.5 mt -93.07 115.6 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -108.62 112.03 24.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 133' ' ' LEU . 33.9 mt -91.38 106.34 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -84.28 118.83 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 5.3 t-80 -126.96 120.63 29.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.6 t0 -68.81 -56.51 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 29.4 mt-10 -33.44 -45.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.9 t -58.31 139.25 55.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.2 m -90.43 -26.77 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 70' ' ' THR . 12.5 mt -65.68 -47.77 74.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 69' ' ' LEU . 86.1 m -32.11 -43.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.576 ' OD1' HG13 ' A' ' 72' ' ' VAL . 1.3 p-10 -48.84 -54.15 16.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG13 ' OD1' ' A' ' 71' ' ' ASN . 23.6 m -84.45 -44.97 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -40.34 -35.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.495 ' CB ' HD12 ' A' ' 78' ' ' LEU . 27.6 p -90.97 -37.88 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.425 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 12.1 m -74.4 -12.1 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' VAL . 30.2 mm-40 -109.83 -38.73 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.603 ' HB3' HD11 ' A' ' 159' ' ' LEU . 19.4 mtt -99.85 -49.43 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' A' ' 74' ' ' CYS . 87.5 mt -82.64 17.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.425 ' HB3' ' C ' ' A' ' 75' ' ' SER . 2.6 p -105.35 -23.92 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.95 128.81 34.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.434 ' HA ' HG22 ' A' ' 84' ' ' VAL . 27.5 mt-10 -64.91 -40.2 94.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.8 t -62.81 -34.23 76.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.458 HD13 ' CE ' ' A' ' 160' ' ' MET . 29.6 mm -76.15 -58.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.477 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 24.9 m -54.6 -35.1 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 89' ' ' GLN . 3.9 t -77.21 -58.45 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -50.53 -46.78 57.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.569 HD11 ' HZ ' ' A' ' 134' ' ' PHE . 8.1 tp -68.03 -34.51 76.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.4 p -86.5 -11.61 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -96.55 -58.11 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.95 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.494 ' ND2' ' HG2' ' A' ' 89' ' ' GLN . 6.1 m-80 -80.09 -36.73 35.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.867 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.8 m-85 -110.53 167.99 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.8 mm -95.76 122.63 47.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 33' ' ' PRO . 26.0 m -86.4 113.26 22.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 82.1 t90 -140.82 127.45 20.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -124.07 155.33 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.501 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 76.4 t-105 -142.33 109.58 5.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -71.62 107.99 4.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.583 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -116.36 17.53 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.0 m -51.73 -43.47 62.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -68.66 149.78 48.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 101' ' ' ASP . 30.9 t0 -58.71 -58.04 10.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.4 t -41.89 -52.59 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.29 -39.93 78.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 ttt-85 -47.79 -53.12 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.68 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 109' ' ' THR . 69.7 mtt-85 -43.36 -65.6 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.554 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 39.8 t80 -43.26 -45.91 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.427 ' O ' ' SG ' ' A' ' 111' ' ' CYS . 17.3 mt -72.2 -23.51 61.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' ARG . 32.0 m -82.26 -29.04 31.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.9 ptm -85.19 -38.07 19.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 108' ' ' LEU . 28.3 p -53.3 -26.86 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -74.44 -29.75 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -87.89 -41.72 13.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -71.5 -62.0 1.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -92.63 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . 148.18 -157.93 27.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -82.6 -55.17 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.6 t -38.89 -61.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.63 -46.5 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -46.04 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -44.59 -47.21 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.3 m -38.87 -51.73 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.7 mt -70.18 -56.43 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -40.29 -44.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 67.7 p -68.41 -40.6 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -53.86 119.55 5.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -59.21 177.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.1 m -72.74 -56.04 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.12 -41.97 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -45.17 -43.53 10.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.512 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 21.6 m-85 -52.12 158.6 1.76 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.74 165.95 75.24 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.357 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.625 ' HB2' HD12 ' A' ' 62' ' ' LEU . 16.5 mt -115.38 111.15 20.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.569 ' HZ ' HD11 ' A' ' 87' ' ' LEU . 2.2 t80 -97.44 119.05 35.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 135' ' ' LEU . 2.8 mp -123.6 143.45 50.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.478 HD12 ' HB2' ' A' ' 148' ' ' ASN . 57.4 mt -113.52 104.53 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 31.7 mm -96.96 107.33 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.538 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 14.6 ttp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -160.7 168.06 25.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.456 HG11 ' CG2' ' A' ' 149' ' ' VAL . 97.9 t -106.28 125.24 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -93.96 -62.86 1.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . 0.478 ' HB2' HD12 ' A' ' 136' ' ' ILE . 91.8 m-20 -121.54 140.93 51.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.456 ' CG2' HG11 ' A' ' 146' ' ' VAL . 67.4 t -128.97 108.18 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.4 mt -99.78 140.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.44 -67.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 170.46 -27.79 0.11 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -80.05 12.98 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.9 t -65.43 178.15 1.01 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 158' ' ' GLU . 74.1 p -129.23 146.76 51.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 77' ' ' MET . 69.8 t -37.34 -48.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.44 -41.4 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 155' ' ' THR . 21.6 mm-40 -60.86 -48.04 83.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' ' 77' ' ' MET . 55.2 mt -49.38 -57.79 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.458 ' CE ' HD13 ' A' ' 83' ' ' ILE . 5.4 mmt -48.18 -53.45 16.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.6 mtp -57.09 -58.79 6.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.445 ' HD3' ' ND2' ' A' ' 148' ' ' ASN . 12.7 mmp_? -47.45 -48.08 26.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.04 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 33.4 mtp -46.11 -51.86 13.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.92 -48.87 72.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -52.26 -35.81 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 41.7 mmm -73.37 -48.36 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -61.14 -38.25 85.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 74.1 mt -65.44 -38.62 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.451 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 26.1 t80 -53.15 -68.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 170' ' ' PHE . 1.3 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.935 0.398 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.24 -59.37 6.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.426 ' HA ' HD12 ' A' ' 18' ' ' LEU . 1.7 m-20 -50.71 -41.9 56.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.55 -48.48 71.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' LEU . 92.7 mt -63.75 -53.01 57.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LEU . 10.5 mt -34.03 -55.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -59.13 -57.86 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 2.4 t80 -46.71 -53.94 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -44.58 -52.51 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.43 -53.28 56.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' PHE . 9.7 mm-40 -58.19 -61.19 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.6 t80 -33.75 -57.76 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 38.8 p -58.77 -66.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . 12.6 t -37.66 -52.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -39.78 -63.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -91.65 -67.74 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.42 -155.32 11.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -39.19 15.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 t -52.87 107.43 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -167.9 152.99 6.65 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.546 0.688 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.736 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.9 Cg_endo -69.75 127.46 14.63 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.9 p -56.63 106.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 71.1 m-85 -78.39 138.15 38.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 11.3 t80 -75.26 119.12 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mm -81.85 114.97 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.26 179.46 26.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -73.06 137.87 45.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.65 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 13.1 tp -51.69 -39.17 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.54 -30.04 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -76.98 -54.87 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.82 -35.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.531 ' CE1' HD23 ' A' ' 58' ' ' LEU . 68.2 m-85 -58.62 -48.27 81.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' ALA . 5.4 pt20 -58.71 -43.62 90.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 29.6 tp10 -62.63 -15.59 52.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.19 -49.63 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.02 -68.13 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.441 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 24.3 m-85 -43.74 -28.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.636 HG22 ' H ' ' A' ' 51' ' ' LYS . 6.3 p -53.79 171.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.636 ' H ' HG22 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -59.51 137.59 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.24 -31.16 13.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -49.29 -47.32 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.93 -70.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 54.46 34.23 20.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -52.4 176.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.633 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 14.4 mt -112.81 171.39 7.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.531 HD23 ' CE1' ' A' ' 44' ' ' PHE . 40.7 tp -109.61 147.58 32.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -144.91 113.15 6.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.45 HG21 ' HE2' ' A' ' 107' ' ' PHE . 4.1 mp -89.08 129.26 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CE1' HD11 ' A' ' 78' ' ' LEU . 33.5 t80 -115.22 104.16 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 107' ' ' PHE . 95.6 mt -82.48 124.33 29.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -106.26 130.59 54.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -133.02 125.21 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLU . 29.8 t0 -70.31 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' ASP . 52.6 mt-10 -34.39 -42.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 t -61.78 135.36 57.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.8 m -86.09 -23.47 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.446 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 31.3 mt -70.65 -32.05 69.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.0 m -60.41 -46.34 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -46.29 -64.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 73' ' ' PHE . 26.8 m -69.46 -51.82 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.627 ' N ' HG23 ' A' ' 72' ' ' VAL . 3.3 t80 -37.83 -35.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 2.2 m -61.17 -68.99 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 54.0 p -76.96 0.07 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' VAL . 66.8 mm-40 -93.68 -56.26 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.586 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 15.1 mtt -104.72 -38.89 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 61' ' ' TYR . 13.6 mt -81.18 17.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.409 ' HB3' ' C ' ' A' ' 75' ' ' SER . 15.8 p -101.66 -33.38 9.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -55.42 143.6 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HA ' HG22 ' A' ' 84' ' ' VAL . 1.8 tt0 -86.77 -32.19 20.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.8 m -66.86 -33.53 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.8 mt -81.75 -60.5 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 80' ' ' ALA . 33.4 m -49.4 -31.32 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 m -84.24 -67.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 5.0 t80 -45.71 -37.5 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.88 -46.53 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.6 p -75.09 -43.29 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -58.72 -53.02 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -84.53 -56.05 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.633 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 10.4 m-85 -97.27 177.21 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mm -105.06 107.61 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.736 HG21 ' HB2' ' A' ' 33' ' ' PRO . 38.8 m -69.76 124.21 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.65 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 64.7 t90 -148.32 123.02 9.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -109.81 156.34 20.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 70.9 t-105 -148.32 127.45 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.34 109.6 20.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -112.34 12.77 20.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.3 m -49.06 -49.9 39.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.435 ' HE2' ' N ' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -63.73 139.31 58.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -48.35 -50.16 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -54.53 -55.4 29.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -53.18 -45.06 68.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -46.22 -49.73 16.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 108' ' ' LEU . . . -61.94 -48.25 81.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 110' ' ' MET . 69.0 mtt180 -40.29 -57.74 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.786 ' CD2' HD21 ' A' ' 62' ' ' LEU . 60.3 t80 -52.92 -31.81 42.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.697 HD22 ' HB1' ' A' ' 120' ' ' ALA . 12.6 mt -79.9 -65.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 110' ' ' MET . 0.8 OUTLIER -48.76 -41.93 33.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -69.17 -38.12 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 107' ' ' PHE . 1.7 m -64.53 -43.06 95.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -50.54 -32.45 18.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -94.56 -57.31 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -51.97 -59.94 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -97.56 -68.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.9 -169.31 35.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.7 m -82.73 -42.67 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 22.2 m -48.72 -22.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -89.45 -57.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.697 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . -52.92 -53.54 47.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -42.92 -55.05 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.8 m -46.74 -44.28 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.4 mm -57.85 -48.91 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -44.78 -43.51 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.0 p -71.87 -37.34 70.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -56.67 122.29 11.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -73.5 177.87 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.8 m -70.62 -64.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -39.92 -45.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -41.37 -42.19 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.531 ' CZ ' HD12 ' A' ' 133' ' ' LEU . 16.3 m-85 -52.07 158.9 1.62 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.4 Cg_endo -69.79 -178.09 16.0 Favored 'Cis proline' 0 C--O 1.232 0.211 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.337 0.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 151' ' ' GLN . 38.4 mt -133.6 103.78 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.49 ' C ' HD22 ' A' ' 135' ' ' LEU . 3.4 t80 -90.17 111.28 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.868 HD13 ' HA ' ' A' ' 149' ' ' VAL . 1.1 mm? -102.74 163.54 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 162' ' ' ARG . 87.0 mt -138.0 106.98 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.4 mp -103.86 137.21 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.401 ' HA ' HD22 ' A' ' 57' ' ' LEU . 2.4 ttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.784 0.326 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.55 147.81 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 146' ' ' VAL . 2.6 m -80.64 119.62 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.1 mp -77.43 -21.18 53.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . 0.543 ' ND2' ' NH1' ' A' ' 162' ' ' ARG . 58.8 m-20 -158.0 146.93 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.868 ' HA ' HD13 ' A' ' 135' ' ' LEU . 64.0 t -122.81 101.98 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.613 HD11 ' HG3' ' A' ' 162' ' ' ARG . 10.6 mt -92.33 150.72 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.576 ' HA ' HD23 ' A' ' 133' ' ' LEU . 2.4 mp0 -115.81 178.38 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -68.01 -21.01 73.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -78.93 2.43 20.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.499 ' O ' ' CE ' ' A' ' 77' ' ' MET . 2.6 t -69.25 147.59 51.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.1 p -84.86 133.07 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 157' ' ' ASP . 11.9 p -40.34 -42.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.479 ' N ' HG13 ' A' ' 156' ' ' VAL . 1.1 m-20 -59.6 -44.5 93.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.12 -49.04 72.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 79.6 mt -45.38 -55.92 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 41.4 tpp -56.19 -43.39 78.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 162' ' ' ARG . 73.3 mmm -59.61 -59.61 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.613 ' HG3' HD11 ' A' ' 150' ' ' ILE . 7.9 mmt180 -37.01 -63.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.402 HD22 ' CG ' ' A' ' 91' ' ' PHE . 88.6 mt -43.12 -58.52 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.2 mtm -48.08 -42.8 29.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.89 -61.77 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -44.01 -41.42 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 3.5 mmt -60.97 -53.33 58.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.43 -52.13 66.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.2 mt -57.03 -39.21 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.37 -55.18 34.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.58 -47.57 17.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -57.82 -55.19 38.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.63 -41.64 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' LEU . 92.5 mt -71.21 -56.52 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.8 mt -34.38 -43.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -67.73 -66.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -45.49 -52.4 10.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.4 p -46.58 -49.45 18.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.69 -67.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' PHE . 9.0 mm-40 -52.46 -61.12 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' GLU . 24.7 t80 -33.69 -42.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' SER . 4.2 m -79.3 -64.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' SER . 29.7 t -37.14 -41.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -54.19 -58.67 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 30.4 m-85 -84.66 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.58 -160.97 22.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -89.82 -44.61 9.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -53.22 114.64 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -167.45 156.15 8.94 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.4 Cg_endo -69.82 128.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -58.67 114.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -88.45 127.24 35.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.41 107.63 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.0 mm -66.97 104.73 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.32 -163.38 33.89 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' ALA . 77.3 p -101.58 153.35 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 tp -41.18 -40.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.57 -40.07 78.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' SER . . . -58.71 -55.05 40.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.79 -45.13 3.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -57.65 -35.79 70.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.432 ' OE1' ' CE2' ' A' ' 49' ' ' TYR . 5.9 mm100 -66.52 -21.54 66.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.543 ' HA ' HG13 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -116.01 7.07 14.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.21 -59.93 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -116.08 -36.11 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.432 ' CE2' ' OE1' ' A' ' 45' ' ' GLN . 3.0 m-85 -51.04 -27.02 7.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.543 HG13 ' HA ' ' A' ' 46' ' ' GLU . 19.7 m -62.16 177.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 161.17 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.66 -33.17 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -82.07 -34.09 29.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.93 0.54 52.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -53.15 146.98 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -150.01 177.99 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.98 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 85.5 mt -111.58 162.15 15.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.6 tp -116.01 147.52 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -147.21 109.25 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -83.17 125.59 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CE1' HD11 ' A' ' 78' ' ' LEU . 14.6 t80 -108.63 105.53 15.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.638 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 81.3 mt -77.3 116.89 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -89.38 135.08 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 8.1 t-80 -143.24 124.06 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.95 -56.73 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 22.2 mt-10 -37.86 -41.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 t -58.94 154.43 15.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -97.42 -34.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.84 -33.11 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.6 m -55.13 -40.4 70.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 13.9 t-20 -49.7 -63.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.6 HG23 ' H ' ' A' ' 73' ' ' PHE . 15.8 m -70.88 -55.69 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.6 ' H ' HG23 ' A' ' 72' ' ' VAL . 8.5 t80 -46.26 -20.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.445 ' SG ' ' CZ ' ' A' ' 24' ' ' PHE . 10.8 t -73.87 -54.65 7.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 95.6 p -97.11 0.83 49.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' VAL . 95.8 mm-40 -106.09 -47.12 3.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.9 -56.53 2.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.699 HD11 ' CE1' ' A' ' 61' ' ' TYR . 7.5 mt -59.8 -28.88 67.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.448 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.3 m -90.18 -8.54 50.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.702 ' HB3' HD12 ' A' ' 83' ' ' ILE . . . -52.1 102.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.587 ' HA ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -47.16 -57.09 5.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -48.31 -19.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.702 HD12 ' HB3' ' A' ' 80' ' ' ALA . 80.2 mt -98.06 -69.42 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 81' ' ' GLU . 23.6 m -36.87 -30.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' ILE . 2.8 m -70.72 -52.87 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.659 ' CE2' ' CG ' ' A' ' 90' ' ' ASN . 44.6 t80 -79.26 -55.41 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 91' ' ' PHE . 6.7 tp -41.77 -34.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -90.04 -43.04 10.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.75 -61.2 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.659 ' CG ' ' CE2' ' A' ' 86' ' ' TYR . 5.8 m-80 -77.07 -50.63 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.98 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -99.13 176.01 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.9 mm -113.25 117.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' ' 33' ' ' PRO . 27.4 m -79.82 134.48 36.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 96' ' ' TRP . 58.4 t90 -155.81 108.75 2.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.13 146.14 25.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 74.8 t-105 -140.29 128.64 22.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.66 107.72 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.489 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -115.12 7.63 15.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.4 m -63.52 -40.15 96.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -65.25 125.39 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 100' ' ' LYS . 6.8 p-10 -33.78 -50.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.6 p -56.43 -65.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 104' ' ' ARG . 3.0 m120 -50.18 -53.8 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 103' ' ' ASN . 7.6 tmm_? -33.99 -59.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.98 82.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -43.52 -67.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.638 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 71.0 t80 -41.5 -61.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 mt -42.47 -53.91 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.3 m -56.74 -46.19 81.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.3 mtm -58.94 -52.81 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.48 ' SG ' ' CZ ' ' A' ' 107' ' ' PHE . 6.9 m -59.42 -43.79 92.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -42.54 -39.41 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' HIS . 9.4 ttt85 -93.77 -66.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' ARG . 15.2 m-70 -34.57 -56.12 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.576 ' CE1' HG12 ' A' ' 137' ' ' ILE . 20.5 m-85 -96.81 -59.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.08 166.74 13.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 t -59.82 -44.7 93.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.3 t -48.22 -46.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 83.0 t -67.84 -65.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -39.36 -56.44 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -40.46 -49.13 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 95.0 m -50.93 -41.63 59.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.3 mm -67.08 -24.73 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -73.54 -55.5 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.8 t -66.4 -23.84 66.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.71 117.47 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -68.57 174.45 4.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 66' ' ' GLU . 72.8 m -69.89 -59.64 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.6 OUTLIER -36.4 -42.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -50.35 -46.4 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 44.3 m-85 -52.05 156.08 2.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.76 164.91 78.02 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.34 0.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.6 mt -122.33 105.09 9.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -92.21 114.55 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.69 136.91 52.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.401 HG21 ' CB ' ' A' ' 166' ' ' ALA . 64.2 mt -106.39 113.88 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.576 HG12 ' CE1' ' A' ' 115' ' ' PHE . 4.8 mp -106.63 147.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.461 ' HG3' ' CD2' ' A' ' 57' ' ' LEU . 13.0 ttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -163.1 164.34 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.6 t -79.58 114.03 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.08 -54.7 5.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -127.6 154.62 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 67.2 t -131.86 106.5 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.495 HD11 ' CB ' ' A' ' 162' ' ' ARG . 42.6 mt -106.98 144.48 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -105.42 149.99 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -53.15 -15.27 3.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.71 8.77 13.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.418 HG21 HG21 ' A' ' 150' ' ' ILE . 7.2 t -79.22 170.79 16.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 65.0 p -102.15 148.21 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.579 HG22 ' SD ' ' A' ' 77' ' ' MET . 86.5 t -46.41 -51.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -58.34 -50.88 72.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -49.8 -51.04 42.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.588 HD11 ' CE2' ' A' ' 73' ' ' PHE . 15.1 mt -45.83 -64.66 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 83' ' ' ILE . 18.0 tpp -48.5 -45.66 37.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.2 mmt -57.34 -50.51 72.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.495 ' CB ' HD11 ' A' ' 150' ' ' ILE . 10.4 mmt180 -50.96 -54.28 25.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.632 HD22 ' CD2' ' A' ' 91' ' ' PHE . 57.5 mt -43.53 -49.44 7.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.7 mtt -60.58 -37.7 82.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.64 67.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.401 ' CB ' HG21 ' A' ' 136' ' ' ILE . . . -89.42 -38.97 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.603 ' HA ' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -76.27 -32.19 58.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.85 -34.72 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -73.89 -40.18 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -48.63 -56.75 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 43.0 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' GLY . 2.5 mp0 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.95 0.405 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -37.86 -68.82 0.37 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.65 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -54.98 -50.27 69.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.24 -48.93 12.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' LEU . 58.3 mt -61.23 -55.44 31.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 15' ' ' ASP . 11.8 mt -33.96 -53.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -54.72 -50.77 67.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.96 -52.59 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.3 m -53.62 -42.96 68.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.62 -62.95 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.42 -48.06 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 3.1 t80 -53.34 -54.43 36.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -40.32 -65.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.9 m -60.85 -47.03 88.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -39.92 -63.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -94.67 -62.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.57 166.51 35.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -45.31 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.15 108.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -168.01 154.35 7.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.588 0.708 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 119.7 6.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.2 p -52.05 111.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.781 ' CD2' HG22 ' A' ' 93' ' ' THR . 65.6 m-85 -85.26 140.0 31.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 7.2 t80 -77.21 112.23 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.513 HD12 ' HG ' ' A' ' 18' ' ' LEU . 26.9 mm -71.48 113.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.35 -139.76 6.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.8 p -122.49 151.38 41.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.981 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 18.4 tp -43.55 -40.87 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -57.57 -62.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.3 -52.14 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.02 -52.07 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 63.7 m-85 -46.65 -48.89 19.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.562 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 54.8 mt-30 -55.56 -63.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' HG11 ' A' ' 50' ' ' VAL . 10.9 tp10 -60.38 -0.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -98.87 -47.68 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.407 ' C ' ' H ' ' A' ' 50' ' ' VAL . 17.6 m-85 -118.0 -30.33 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 45' ' ' GLN . 3.0 m-85 -76.89 17.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.988 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 46' ' ' GLU . 35.6 m -98.94 176.0 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -54.61 135.19 46.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.36 -25.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.2 mmt-85 -89.53 -39.55 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.485 ' O ' HG21 ' A' ' 50' ' ' VAL . 28.7 m-20 -83.91 16.87 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 26.7 mtp180 -56.78 129.83 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -135.41 175.0 9.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.764 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 52.7 mt -112.33 167.96 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.2 tp -107.77 136.73 47.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.98 122.68 21.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.1 mt -98.65 135.31 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -121.71 128.88 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.403 HD22 HD22 ' A' ' 98' ' ' LEU . 73.2 mt -106.5 130.98 54.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -106.46 128.75 54.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.6 t-80 -138.85 117.76 12.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' GLU . 13.5 t70 -64.58 -53.65 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.0 mm-40 -35.94 -44.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 t -57.13 159.64 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.3 m -105.23 -36.53 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.42 -33.84 76.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.0 m -52.11 -50.97 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -39.03 -65.16 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.612 HG23 ' N ' ' A' ' 73' ' ' PHE . 18.2 m -70.47 -55.3 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.612 ' N ' HG23 ' A' ' 72' ' ' VAL . 7.7 t80 -43.04 -21.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.0 t -73.1 -53.52 10.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.457 ' C ' ' HB2' ' A' ' 79' ' ' CYS . 24.8 p -96.86 0.33 49.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 93.7 mm-40 -105.88 -47.69 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.578 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -97.8 -55.73 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 10.2 mt -62.11 -17.38 57.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.457 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.3 m -103.16 18.0 22.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.429 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -86.78 103.01 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -43.53 -51.78 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.7 p -55.2 -37.94 67.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 29.7 mm -78.4 -70.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 20.2 m -42.43 -40.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 84' ' ' VAL . 41.0 t -58.95 -56.8 17.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.582 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 28.8 t80 -70.1 -58.38 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.484 HD13 ' HZ ' ' A' ' 134' ' ' PHE . 16.9 tp -41.73 -36.34 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 82.8 p -86.73 -50.76 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.45 -61.29 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.582 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 2.4 m-80 -73.07 -58.13 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.764 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -93.89 176.74 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.4 mm -105.02 132.07 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.781 HG22 ' CD2' ' A' ' 35' ' ' PHE . 66.6 m -89.23 114.66 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.981 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 11.1 t90 -139.09 116.4 11.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.88 159.6 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -157.93 115.53 3.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -79.16 104.62 9.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.404 ' HA ' ' CB ' ' A' ' 103' ' ' ASN . 1.5 pt? -112.13 11.81 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 m -44.54 -68.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -63.0 137.11 58.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -42.49 -50.29 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' ASP . 56.3 m -37.15 -50.69 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.404 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 28.0 m120 -83.79 -35.56 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -39.02 -47.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -74.82 -45.66 41.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' ALA . 9.7 mmt-85 -36.68 -43.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -81.43 -52.79 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -47.65 -64.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.4 m -39.92 -47.92 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 111' ' ' CYS . 1.8 mmt -59.8 -61.51 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.7 ' HB3' ' HB2' ' A' ' 120' ' ' ALA . 7.6 t -36.5 -55.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -40.78 -42.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' HIS . 3.0 ttp180 -90.72 -68.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' ARG . 2.5 m-70 -34.38 -65.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 137' ' ' ILE . 28.9 m-85 -94.18 -62.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.1 163.1 14.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 44.8 p -66.3 -46.11 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.1 m -51.61 -39.74 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.4 t -73.04 -56.88 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.7 ' HB2' ' HB3' ' A' ' 111' ' ' CYS . . . -51.26 -61.38 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -38.24 -51.91 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 88.2 m -43.63 -46.59 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.451 HD12 HD13 ' A' ' 133' ' ' LEU . 50.6 mm -55.61 -41.95 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.68 -45.55 89.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 70.0 p -66.67 -40.26 88.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -52.07 119.2 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -55.6 176.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 55.3 m -77.46 -55.98 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -39.16 -48.39 1.73 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -39.97 -44.15 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.527 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 14.6 m-85 -52.08 157.46 2.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.674 0.75 . . . . 0.0 110.837 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.72 146.89 83.35 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.385 -0.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.451 HD13 HD12 ' A' ' 123' ' ' ILE . 12.4 mt -92.43 119.01 31.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.484 ' HZ ' HD13 ' A' ' 87' ' ' LEU . 8.4 t80 -113.12 107.59 16.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.71 160.07 15.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.3 mt -124.29 108.06 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 115' ' ' PHE . 3.7 mp -95.78 104.45 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.467 ' HB3' HD13 ' A' ' 147' ' ' LEU . 5.5 ttp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.799 0.333 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -153.25 133.63 13.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.545 HG12 HG13 ' A' ' 137' ' ' ILE . 3.7 m -72.19 125.21 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 138' ' ' MET . 10.0 mp -83.82 -28.4 28.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -147.93 151.36 35.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.8 110.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.442 HG21 HG21 ' A' ' 154' ' ' THR . 24.9 mt -96.09 118.82 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -52.22 -58.27 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 150.93 -17.58 0.94 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -79.85 8.75 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.442 HG21 HG21 ' A' ' 150' ' ' ILE . 12.4 t -69.92 157.22 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 158' ' ' GLU . 16.8 p -95.06 137.04 34.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.604 ' HA ' HD12 ' A' ' 159' ' ' LEU . 63.1 t -39.51 -48.9 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.39 -38.95 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 155' ' ' THR . 19.6 mm-40 -71.2 -42.07 69.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 156' ' ' VAL . 37.9 mt -46.01 -59.02 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 38.8 tpp -45.69 -45.51 14.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -56.52 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -50.45 -52.25 39.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.79 -55.62 31.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.2 mmt -50.48 -45.62 56.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.9 -56.61 17.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.406 ' HB3' ' HZ ' ' A' ' 91' ' ' PHE . . . -40.36 -49.94 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.652 ' O ' HG22 ' A' ' 171' ' ' THR . 3.3 mmt -66.95 -60.85 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -41.82 -42.55 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 26.5 mt -70.4 -45.24 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.27 -63.69 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 167' ' ' MET . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.1 -52.86 29.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.66 ' HA ' HD12 ' A' ' 18' ' ' LEU . 14.0 m-20 -55.35 -46.43 76.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.16 -45.45 61.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 95' ' ' ALA . 63.0 mt -69.09 -43.9 73.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 15' ' ' ASP . 9.4 mt -45.77 -23.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.48 -61.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 1.3 t80 -49.52 -39.53 34.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.484 HG23 ' HD2' ' A' ' 35' ' ' PHE . 97.8 m -57.3 -64.0 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.67 -47.7 50.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.74 -59.32 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -42.49 -37.22 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' GLY . 40.3 t -62.07 -61.12 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 m -59.0 -45.62 90.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -42.89 -60.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -96.91 -64.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' SER . . . -176.64 170.93 43.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 3.9 m-20 -60.18 -43.97 95.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -52.44 109.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 1.5 p80 -168.11 152.52 6.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.699 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.434 ' HB2' HG21 ' A' ' 93' ' ' THR . 54.3 Cg_endo -69.74 151.84 69.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.97 102.62 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.484 ' HD2' HG23 ' A' ' 21' ' ' THR . 89.0 m-85 -77.02 122.87 25.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.97 125.56 24.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.529 HD12 ' HG ' ' A' ' 18' ' ' LEU . 26.8 mm -89.22 117.31 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.88 -159.51 27.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.2 p -83.03 177.88 8.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.382 . . . . 0.0 110.831 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.436 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 9.3 tp -81.06 -41.77 22.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -53.49 -42.12 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.6 -53.24 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.669 ' HB1' HD13 ' A' ' 58' ' ' LEU . . . -40.77 -56.77 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.781 ' CE1' HD23 ' A' ' 58' ' ' LEU . 45.0 m-85 -46.79 -38.9 10.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.466 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 49.6 mt-30 -74.48 -61.58 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -46.9 -19.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.25 -51.24 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 5.0 m-85 -97.58 -65.14 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.466 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 3.3 m-85 -32.84 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 48' ' ' PHE . 17.8 m -59.77 171.77 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -57.36 164.07 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.35 -35.27 79.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -72.31 -21.61 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -107.65 11.39 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -65.44 139.96 58.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 89' ' ' GLN . 49.5 mtmt -155.73 177.87 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 22.7 mt -111.77 154.65 24.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.781 HD23 ' CE1' ' A' ' 44' ' ' PHE . 28.9 tp -104.4 154.09 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.552 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -147.67 114.24 6.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.21 129.55 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -114.54 113.79 24.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.983 HD12 ' HB2' ' A' ' 133' ' ' LEU . 52.3 mt -87.42 113.75 23.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -98.53 122.19 41.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 13.9 t-80 -129.19 142.88 50.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.67 -59.2 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 18.8 mm-40 -39.16 -44.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.5 t -55.64 157.34 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.2 m -108.31 -26.15 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 58.5 mt -80.2 12.32 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 m -85.51 -41.5 15.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.3 p-10 -73.36 -45.83 52.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 73' ' ' PHE . 33.3 m -68.96 -51.15 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.65 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 2.4 t80 -47.78 -48.71 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.685 ' CB ' HD12 ' A' ' 78' ' ' LEU . 32.1 p -77.35 -46.21 23.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 23.1 t -66.29 -14.53 62.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' VAL . 55.4 mm-40 -108.55 -38.56 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.672 ' SD ' HD11 ' A' ' 159' ' ' LEU . 12.7 mtt -100.75 -50.25 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.685 HD12 ' CB ' ' A' ' 74' ' ' CYS . 73.4 mt -80.97 17.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.401 ' HB3' ' C ' ' A' ' 75' ' ' SER . 6.7 p -104.83 -22.38 13.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -84.09 122.71 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 85' ' ' SER . 27.9 mm-40 -56.04 -40.33 73.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -60.17 -42.43 94.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.465 HG13 ' CG2' ' A' ' 156' ' ' VAL . 34.7 mm -68.17 -58.33 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.421 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 35.3 m -61.44 -26.86 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 28.6 t -74.51 -55.32 6.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.639 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 5.0 t80 -66.76 -41.91 87.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' PHE . 14.1 tp -61.28 -35.09 76.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.7 t -83.83 -37.06 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.425 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 8.9 mt-30 -76.6 -61.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.639 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 5.9 m-80 -67.24 -40.61 86.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.6 ' CG ' HD22 ' A' ' 163' ' ' LEU . 4.0 m-85 -116.96 165.5 13.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -95.18 116.29 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 33' ' ' PRO . 9.4 m -74.33 135.96 42.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.436 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 3.1 t90 -156.62 118.08 3.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.431 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -116.9 150.94 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -144.91 125.55 14.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -86.85 127.67 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 104' ' ' ARG . 4.9 mp -116.37 8.62 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.6 m -40.51 -62.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.425 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -68.18 125.56 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -40.18 -43.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.5 t -46.48 -52.08 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 100' ' ' LYS . 67.9 m-80 -65.83 -52.76 47.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.831 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.599 ' HA ' HD23 ' A' ' 98' ' ' LEU . 20.6 ttp180 -37.53 -46.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.68 -47.84 61.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -43.48 -64.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.515 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 78.6 t80 -45.86 -58.33 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.7 mt -46.6 -39.14 10.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 95.1 m -73.26 -65.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.417 ' CG ' ' HA ' ' A' ' 107' ' ' PHE . 8.0 ptp -49.58 -29.38 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.65 -41.56 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.498 ' HA ' ' CA ' ' A' ' 116' ' ' GLY . 42.5 t-20 -73.03 -51.9 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -43.36 22.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -88.91 -70.55 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.47 ' CB ' HG11 ' A' ' 119' ' ' VAL . 18.6 m-85 -73.49 -69.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.498 ' CA ' ' HA ' ' A' ' 112' ' ' ASN . . . 147.06 177.96 22.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.7 t -73.18 -46.35 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.5 m -39.35 -36.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.47 HG11 ' CB ' ' A' ' 115' ' ' PHE . 3.0 p -91.59 -42.98 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.36 -46.8 66.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -48.3 -55.76 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 93.6 m -46.62 -46.01 19.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.46 HG21 ' HE2' ' A' ' 107' ' ' PHE . 26.8 mm -58.58 -41.51 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 124' ' ' ARG . 24.1 ttm105 -59.76 -46.58 88.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 56.8 p -66.68 -40.36 88.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -52.12 114.33 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -57.04 171.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.3 m -64.98 -57.23 9.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.8 OUTLIER -44.86 -48.49 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 129' ' ' ASP . 73.2 mm-40 -36.54 -33.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.545 ' CE2' HD13 ' A' ' 62' ' ' LEU . 5.3 m-85 -65.02 155.54 83.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.77 161.85 85.36 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.32 -0.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.983 ' HB2' HD12 ' A' ' 62' ' ' LEU . 18.4 mt -114.08 105.81 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.552 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 11.0 t80 -93.65 118.56 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.22 142.87 49.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 148' ' ' ASN . 67.2 mt -110.63 130.9 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 144' ' ' ASN . 4.8 mp -124.07 142.12 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.61 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 4.8 ttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.456 ' HB3' HG21 ' A' ' 137' ' ' ILE . 1.1 m120 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.792 0.329 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -141.08 130.61 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 1.9 m -73.14 146.02 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.3 mp -107.78 -32.17 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . 0.473 ' HB2' HD12 ' A' ' 136' ' ' ILE . 3.8 m120 -135.85 142.41 44.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 91.9 t -127.61 105.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.61 HG21 HG21 ' A' ' 154' ' ' THR . 58.9 mt -96.54 120.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 132' ' ' PRO . 8.7 mp0 -62.04 -69.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 168.64 -23.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -81.03 16.53 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.61 HG21 HG21 ' A' ' 150' ' ' ILE . 11.2 t -75.11 161.88 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 48.1 p -99.07 143.92 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 83' ' ' ILE . 12.4 p -46.2 -38.45 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -60.35 -43.59 96.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 161' ' ' MET . 7.4 mm-40 -53.59 -48.27 69.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.672 HD11 ' SD ' ' A' ' 77' ' ' MET . 30.9 mt -45.41 -51.98 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 3.8 mmt -46.88 -57.52 4.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 158' ' ' GLU . 5.3 ptm -63.43 -36.21 82.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 161' ' ' MET . 35.6 mmt-85 -58.83 -41.53 87.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.6 HD22 ' CG ' ' A' ' 91' ' ' PHE . 65.4 mt -74.95 -48.38 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 13.5 mtt -58.96 -54.66 44.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 168' ' ' GLU . . . -54.19 -40.68 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -60.07 -28.05 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.4 mmt -74.89 -55.74 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 8.4 pt-20 -56.26 -37.27 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 86.1 mt -72.19 -58.35 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -38.82 -63.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 30.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.58 ' OE2' ' CZ3' ' A' ' 96' ' ' TRP . 6.6 mm-40 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.18 -69.32 0.91 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.644 ' HA ' HD12 ' A' ' 18' ' ' LEU . 39.0 t0 -45.1 -43.2 9.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.38 89.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 21' ' ' THR . 66.0 mt -70.45 -40.72 73.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 15' ' ' ASP . 13.7 mt -50.23 -45.98 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -61.8 -45.56 93.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -62.1 -35.63 79.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.684 HG22 ' HD2' ' A' ' 35' ' ' PHE . 43.7 p -70.65 -53.61 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.6 -36.47 66.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -78.64 -41.59 31.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.5 t80 -56.77 -52.1 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' GLY . 11.0 p -48.34 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 m -56.85 -51.92 67.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -39.72 -61.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -95.42 -65.54 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 178.89 170.74 41.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -64.1 -44.12 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 103.64 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -167.74 152.76 6.71 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.612 0.72 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.52 6.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.531 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 31.1 m -52.56 173.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.684 ' HD2' HG22 ' A' ' 21' ' ' THR . 20.9 m-85 -141.37 132.95 27.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.17 115.72 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.511 HD12 ' HG ' ' A' ' 18' ' ' LEU . 39.9 mm -72.82 102.68 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.17 -172.97 35.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.1 t -89.23 156.22 18.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.648 HD11 HD21 ' A' ' 58' ' ' LEU . 25.0 tp -57.7 -46.07 84.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -46.69 -40.09 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -77.18 -56.9 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -37.49 -37.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE2' ' HG ' ' A' ' 40' ' ' LEU . 20.7 m-85 -56.94 -46.31 82.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 5.0 pt20 -56.65 -51.32 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' O ' HG11 ' A' ' 50' ' ' VAL . 6.7 tt0 -53.6 -17.84 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.1 -47.21 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.489 ' O ' ' N ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -97.89 -68.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 7.2 m-85 -33.8 -34.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 46' ' ' GLU . 18.5 m -56.99 173.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HE2' ' NH2' ' A' ' 53' ' ' ARG . 13.9 mtpp -52.7 150.18 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -27.29 68.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' NH2' ' HE2' ' A' ' 51' ' ' LYS . 30.3 mtm105 -86.57 -42.11 13.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -80.99 12.94 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 27.2 mtt-85 -54.71 169.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 33.6 mtmt -165.27 174.83 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.725 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 79.4 mt -112.4 163.59 14.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.648 HD21 HD11 ' A' ' 40' ' ' LEU . 33.4 tp -108.36 154.87 21.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -148.15 106.88 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.6 mt -83.84 132.34 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.513 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 67.0 t80 -117.27 102.16 9.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 133' ' ' LEU . 45.6 mt -83.02 112.42 19.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -88.22 147.48 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.0 t-80 -157.85 124.68 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.79 -55.28 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 20.4 mt-10 -37.55 -49.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -52.73 159.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 69' ' ' LEU . 30.8 m -98.01 -41.23 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.166 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 68' ' ' VAL . 15.1 mt -61.01 -26.49 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 64' ' ' HIS . 97.2 m -60.62 -46.22 91.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -52.36 -57.38 9.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.72 HG23 ' H ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -69.83 -69.04 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.72 ' H ' HG23 ' A' ' 72' ' ' VAL . 5.5 t80 -34.25 -32.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.5 m -58.46 -61.66 2.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.417 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 88.2 p -96.38 1.04 51.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -97.93 -54.47 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.582 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -89.02 -72.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 94.0 mt -40.83 -22.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.1 m -80.77 16.82 1.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -89.68 103.36 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -51.05 -22.69 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.9 p -83.24 -44.54 14.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 51.1 mm -69.4 -44.45 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.452 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 12.0 m -65.45 -18.29 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -92.8 -50.56 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 90' ' ' ASN . 5.8 t80 -72.49 -29.85 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 83' ' ' ILE . 63.0 tp -62.53 -36.77 83.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.1 p -92.76 -41.0 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.15 -48.5 81.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.498 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 9.4 m-80 -93.06 -51.41 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.725 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -100.19 178.15 4.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.7 mm -109.08 121.06 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -73.13 131.32 41.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.462 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 16.3 t90 -157.94 108.15 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.65 151.99 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CZ3' ' OE2' ' A' ' 13' ' ' GLU . 73.4 t-105 -149.82 104.85 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.5 107.99 4.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -113.3 9.4 18.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.2 m -45.24 -61.36 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.5 154.2 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.33 -44.03 97.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 m -53.43 -60.54 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 104' ' ' ARG . 55.9 m-80 -64.14 -44.47 92.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -34.35 -56.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.42 -35.39 60.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.33 -43.18 53.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.42 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 5.4 t80 -60.92 -45.9 92.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.61 -36.1 61.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.0 m -59.13 -26.36 64.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.3 mtt -87.02 -51.03 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.498 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 12.2 p -51.36 -24.63 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 117' ' ' SER . 30.9 t30 -85.96 -59.34 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -36.49 56.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.496 ' CD2' HD23 ' A' ' 40' ' ' LEU . 88.2 m-70 -80.86 -68.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.481 ' CE1' HG12 ' A' ' 137' ' ' ILE . 5.7 m-85 -81.79 -66.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.33 178.88 25.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.428 ' N ' ' OD1' ' A' ' 112' ' ' ASN . 3.8 m -73.94 -52.81 11.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 117' ' ' SER . 88.0 t -36.79 -52.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.626 HG13 ' N ' ' A' ' 120' ' ' ALA . 8.0 p -76.24 -52.79 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.626 ' N ' HG13 ' A' ' 119' ' ' VAL . . . -39.38 -28.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 119' ' ' VAL . 51.6 tt0 -68.39 -50.04 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.2 t -37.72 -36.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.9 mt -77.23 -49.96 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -42.61 -35.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 71.7 p -76.46 -37.89 56.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.437 ' CB ' HD11 ' A' ' 133' ' ' LEU . 29.1 mm-40 -54.86 118.5 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -64.74 178.2 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 66' ' ' GLU . 16.6 m -76.37 -46.06 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.9 -36.54 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -60.97 -42.0 97.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 17.7 m-85 -52.06 156.78 2.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.8 Cg_endo -69.74 148.81 87.44 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.367 -0.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.569 ' HB2' HD12 ' A' ' 62' ' ' LEU . 12.3 mt -98.38 106.66 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.459 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.3 t80 -95.61 107.4 19.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.89 167.29 9.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 48.1 mt -133.63 118.91 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.481 HG12 ' CE1' ' A' ' 115' ' ' PHE . 3.6 mp -112.89 148.25 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.533 ' HB2' HD11 ' A' ' 147' ' ' LEU . 2.9 ttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 1.2 p30 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.771 0.319 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.402 ' O ' HG23 ' A' ' 137' ' ' ILE . 0.3 OUTLIER -150.72 158.66 44.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 67.1 t -93.97 125.75 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 138' ' ' MET . 35.9 mt -86.21 -67.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -109.0 154.98 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 71.6 t -131.72 115.6 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.514 HG21 HG21 ' A' ' 154' ' ' THR . 55.8 mt -105.05 125.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.25 -57.07 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 149.87 -24.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -72.05 -1.99 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.514 HG21 HG21 ' A' ' 150' ' ' ILE . 13.3 t -59.79 159.85 8.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.5 p -107.6 153.26 23.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.561 ' HA ' HD12 ' A' ' 159' ' ' LEU . 66.2 t -42.37 -51.38 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -48.67 -51.56 27.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -58.18 -44.57 88.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 156' ' ' VAL . 36.8 mt -51.92 -46.19 64.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.443 ' CE ' HD13 ' A' ' 83' ' ' ILE . 8.5 mmt -50.36 -49.91 52.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.2 mtt -60.84 -58.77 7.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -43.81 -61.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.93 -54.84 41.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.6 mmm -42.86 -60.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 167' ' ' MET . . . -53.25 -64.49 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' A' ' 169' ' ' ILE . . . -34.82 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 165' ' ' ALA . 4.7 tmm? -70.06 -67.37 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 1.4 pp20? -50.71 -36.36 35.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 166' ' ' ALA . 92.9 mt -52.6 -39.89 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 7.5 t80 -77.12 -58.48 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.87 -58.93 5.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.73 -50.07 73.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.8 43.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' LEU . 88.4 mt -65.46 -54.36 29.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' LEU . 27.8 mt -36.34 -54.93 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -55.22 -44.77 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' LEU . 42.0 t80 -62.93 -51.23 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -61.67 -64.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.42 -41.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -79.68 -37.81 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -59.33 -40.95 87.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -53.14 -54.85 29.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -73.14 -35.21 66.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -41.68 -63.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.566 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 5.1 m-85 -98.16 -42.56 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 159.04 146.8 4.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -41.27 -47.54 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 m -52.09 103.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -168.36 153.51 6.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.573 0.702 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.99 8.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 34' ' ' VAL . 13.9 p -56.79 114.55 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD1' HG22 ' A' ' 93' ' ' THR . 76.4 m-85 -88.42 135.3 33.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.29 118.71 9.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.4 mm -82.02 109.33 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.43 -155.54 26.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -94.17 143.41 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.733 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 11.9 tp -50.26 -50.82 48.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.08 -47.95 4.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . -54.55 -54.76 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.725 ' HB1' HD13 ' A' ' 58' ' ' LEU . . . -34.09 -36.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' ALA . 62.8 m-85 -67.5 -57.87 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 16.7 pt20 -61.0 -40.38 93.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 45' ' ' GLN . 4.0 tp10 -62.09 -8.26 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.57 -40.18 3.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 49' ' ' TYR . 19.8 m-85 -98.03 -70.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.513 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 7.5 m-85 -33.55 -40.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 54' ' ' ASP . 31.8 m -52.22 162.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -56.18 174.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.13 -33.02 71.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -71.47 -19.88 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.428 ' O ' HG21 ' A' ' 50' ' ' VAL . 10.8 t70 -110.01 17.77 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -64.25 134.5 54.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 9.2 mtmp? -153.86 177.94 10.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.476 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 85.7 mt -112.44 168.51 9.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.725 HD13 ' HB1' ' A' ' 43' ' ' ALA . 24.9 tp -107.49 140.15 40.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB3' HD11 ' A' ' 87' ' ' LEU . . . -133.19 110.18 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.2 mt -89.12 134.16 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.518 ' CE2' HD11 ' A' ' 78' ' ' LEU . 31.3 t80 -121.44 106.96 11.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.758 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 55.4 mt -84.61 118.72 24.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -101.77 136.63 41.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 1.6 t-80 -143.31 106.32 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 17.9 t0 -54.67 -61.27 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 31.7 mm-40 -33.99 -44.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 t -56.02 156.28 5.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.8 m -98.48 -29.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.4 mt -68.08 -42.06 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.0 m -48.74 -32.3 8.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -67.91 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.588 HG23 ' N ' ' A' ' 73' ' ' PHE . 16.4 m -62.42 -55.24 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.601 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 9.1 t80 -43.53 -26.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.566 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 14.2 t -61.6 -60.16 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.3 p -94.52 -1.29 53.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -88.53 -56.12 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.678 ' HG2' HG22 ' A' ' 156' ' ' VAL . 11.8 mtt -111.3 -34.73 6.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.518 HD11 ' CE2' ' A' ' 61' ' ' TYR . 10.1 mt -79.25 16.15 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.7 p -99.62 -33.42 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -54.04 116.96 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' HA ' HG22 ' A' ' 84' ' ' VAL . 31.6 mt-10 -65.32 -41.74 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 t -56.58 -34.66 67.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.4 mt -80.71 -68.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 80' ' ' ALA . 29.1 m -43.45 -23.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 t -90.13 -50.88 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.508 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 t80 -58.59 -42.32 87.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 91' ' ' PHE . 16.2 tp -59.1 -36.6 75.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.5 p -82.63 -35.72 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -71.99 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 5.3 m-80 -74.85 -51.57 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.491 ' HB2' HD12 ' A' ' 87' ' ' LEU . 3.9 m-85 -100.05 178.4 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.413 HD11 ' NZ ' ' A' ' 56' ' ' LYS . 35.0 mm -109.68 109.6 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.545 HG22 ' CD1' ' A' ' 35' ' ' PHE . 24.0 m -75.29 131.13 40.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.733 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 62.3 t90 -147.16 125.66 12.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.542 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -115.39 153.4 31.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.525 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 76.1 t-105 -149.25 102.59 3.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 4.3 p-10 -68.44 105.15 2.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 104' ' ' ARG . 2.0 pt? -110.8 17.63 20.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.9 m -49.69 -47.56 50.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -66.99 127.99 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.47 -47.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.3 m -49.69 -57.39 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.444 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 33.9 m120 -60.56 -51.45 69.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.626 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.4 ttt180 -43.14 -45.78 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.93 80.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -50.1 -57.16 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.758 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 72.0 t80 -49.84 -45.28 50.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.409 ' HA ' ' SG ' ' A' ' 111' ' ' CYS . 11.1 mt -70.6 -24.47 62.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 52.5 m -79.63 -35.35 39.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 113' ' ' ARG . 23.8 ptm -80.64 -50.28 10.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 108' ' ' LEU . 22.9 p -38.95 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' MET . 17.2 t-20 -75.44 -41.72 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 110' ' ' MET . 13.2 mmt180 -76.19 -37.92 57.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -78.07 -69.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -78.18 -68.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.81 -173.87 25.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.3 t -75.42 -55.18 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.397 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.531 HG23 HG23 ' A' ' 119' ' ' VAL . 23.9 m -40.05 -41.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.531 HG23 HG23 ' A' ' 118' ' ' VAL . 95.5 t -82.95 -59.22 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 119' ' ' VAL . . . -34.21 -37.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 119' ' ' VAL . 12.7 tm0? -58.04 -50.28 73.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 119' ' ' VAL . 1.2 t -46.09 -28.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.471 HD13 ' HE2' ' A' ' 107' ' ' PHE . 62.6 mt -90.26 -47.25 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -42.86 -39.81 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 77.4 p -71.39 -40.24 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.513 ' OE1' ' NE2' ' A' ' 151' ' ' GLN . 23.7 mm-40 -52.05 128.4 24.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.432 ' H ' ' CG ' ' A' ' 130' ' ' GLN . 5.6 mmmm -90.86 178.14 6.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.4 HG23 ' NE2' ' A' ' 64' ' ' HIS . 95.0 m -58.13 -48.51 80.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.8 OUTLIER -55.86 -50.88 69.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.432 ' CG ' ' H ' ' A' ' 127' ' ' LYS . 5.9 mm100 -36.42 -45.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.536 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 80.1 m-85 -52.39 154.63 4.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.75 -177.08 13.76 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.336 -0.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.508 ' HB2' HD12 ' A' ' 62' ' ' LEU . 12.3 mt -134.68 108.23 7.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -93.77 109.54 21.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.55 154.06 28.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.2 mt -114.93 111.53 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.736 HD13 HG12 ' A' ' 146' ' ' VAL . 13.9 mm -92.28 133.66 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.796 0.331 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -144.15 135.41 25.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.736 HG12 HD13 ' A' ' 137' ' ' ILE . 3.2 m -72.35 120.7 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.33 -34.25 65.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -142.95 152.2 41.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 100.0 t -130.73 114.17 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 20.3 mt -99.64 123.28 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.513 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 7.8 mm-40 -62.48 -63.34 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 161.99 -23.81 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.435 ' C ' ' OD1' ' A' ' 153' ' ' ASN . 5.6 p30 -81.74 15.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 15.2 t -65.99 172.34 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.8 p -105.03 143.08 33.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.68 ' HA ' HD12 ' A' ' 159' ' ' LEU . 59.4 t -46.57 -51.49 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -54.03 -44.84 71.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -55.95 -47.02 78.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 156' ' ' VAL . 26.9 mt -45.33 -55.87 5.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 1.6 mmt -50.33 -48.77 55.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 10.2 mtm -60.77 -46.69 89.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -49.73 -54.45 18.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.29 -60.62 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 23.6 mmm -43.88 -53.37 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 166' ' ' ALA . . . -55.91 -60.66 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.63 -36.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 165' ' ' ALA . 82.2 mmm -67.89 -68.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 8.8 pt-20 -48.48 -41.01 28.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.468 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 78.7 mt -60.49 -52.23 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -40.3 -61.77 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.904 0.383 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' ASP . . . -39.68 -71.02 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.9 m-20 -35.33 -52.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.84 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.65 -56.91 13.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 17' ' ' LEU . 32.1 mt -55.45 -43.21 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 mt -49.74 -44.28 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -61.94 -48.24 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.53 -44.95 96.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -63.61 -42.2 98.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.22 -51.86 58.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 53.0 mm-40 -64.17 -47.21 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -57.63 -46.21 84.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 t -43.51 -57.03 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -71.78 -49.55 37.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 17.8 mtt85 -42.47 -57.9 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.539 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 40.5 m-85 -92.37 -65.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.83 165.81 31.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.01 -36.35 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -63.24 107.14 1.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -167.36 155.1 8.5 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.595 0.712 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.786 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.3 Cg_endo -69.82 132.29 22.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.371 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.0 t -57.98 102.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.692 ' CD1' HG22 ' A' ' 93' ' ' THR . 78.4 m-85 -78.12 123.36 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -62.72 110.47 1.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -71.84 102.23 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.35 -164.41 37.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.1 p -93.14 162.67 13.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.8 -41.58 57.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -71.92 -49.07 40.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.53 -48.77 27.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.12 76.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.641 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 10.2 m-85 -46.94 -33.81 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.477 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 83.6 mt-30 -64.86 -58.98 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.55 -16.87 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.7 -50.39 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 49' ' ' TYR . 7.2 m-85 -97.98 -65.18 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.477 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 4.7 m-85 -33.07 -38.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.792 HG21 ' O ' ' A' ' 54' ' ' ASP . 13.9 m -52.2 178.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.139 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -77.87 148.89 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' N ' ' HG3' ' A' ' 51' ' ' LYS . . . -39.48 -42.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -69.05 -33.87 74.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.792 ' O ' HG21 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -95.68 18.06 13.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 37.5 mtp85 -67.27 149.44 50.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HE3' HD11 ' A' ' 92' ' ' ILE . 27.3 mtmt -162.08 175.56 11.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.937 HD22 ' HA ' ' A' ' 138' ' ' MET . 80.5 mt -114.09 154.06 28.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.641 HD23 ' CZ ' ' A' ' 44' ' ' PHE . 12.0 tp -106.47 153.38 22.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' N ' ' HG ' ' A' ' 58' ' ' LEU . . . -148.28 112.84 5.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 137' ' ' ILE . 5.2 mp -84.13 124.71 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -107.32 102.22 11.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 133' ' ' LEU . 84.7 mt -67.37 135.33 53.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -125.52 115.46 20.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 131' ' ' PHE . 12.4 t-80 -118.18 102.73 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.87 -55.91 14.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 12.5 mt-10 -38.3 -37.21 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.43 ' HA ' HG22 ' A' ' 128' ' ' THR . 44.7 t -65.53 158.21 27.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -98.1 -22.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 30.7 mt -77.61 -10.58 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -63.56 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.505 ' ND2' HG13 ' A' ' 72' ' ' VAL . 1.3 p-10 -44.28 -48.02 9.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.634 HG23 ' H ' ' A' ' 73' ' ' PHE . 13.0 m -70.39 -56.94 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.634 ' H ' HG23 ' A' ' 72' ' ' VAL . 11.7 t80 -53.39 -15.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.505 ' CB ' ' CE2' ' A' ' 28' ' ' TYR . 14.8 m -77.68 -54.04 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.416 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 57.5 p -95.77 -3.59 45.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' VAL . 45.0 mm-40 -101.06 -49.23 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.588 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.45 -69.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 10.5 mt -41.43 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -81.93 17.96 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -81.84 102.11 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.21 -37.22 82.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.5 m -68.35 -31.66 71.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.484 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 81.6 mt -81.97 -68.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 85' ' ' SER . 29.3 m -37.29 -41.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 84' ' ' VAL . 56.4 p -60.37 -55.28 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -72.08 -59.41 2.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' PHE . 14.9 tp -42.32 -32.13 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.7 t -90.32 -35.62 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -69.85 -57.82 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -81.74 -45.92 14.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.475 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.3 m-85 -104.87 175.85 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.478 HD11 ' HE3' ' A' ' 56' ' ' LYS . 51.3 mm -109.45 123.76 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.786 HG21 ' HB2' ' A' ' 33' ' ' PRO . 18.3 m -78.71 117.64 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -142.72 116.29 9.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -115.66 156.41 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -144.36 139.3 28.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.4 122.52 38.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.662 HD11 HD22 ' A' ' 62' ' ' LEU . 5.4 mp -100.85 -21.82 15.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' LEU . 15.5 m -33.05 -44.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -70.06 118.88 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -51.11 -58.33 6.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 p -46.49 -33.94 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 106' ' ' ARG . 1.9 m-80 -77.93 -50.5 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 103' ' ' ASN . 12.2 ttp180 -33.92 -53.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.22 -45.19 91.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ASN . 47.1 mtp85 -47.36 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.54 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 90.7 t80 -40.86 -54.27 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 40.9 mt -55.45 -41.49 72.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.3 m -70.94 -65.34 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 9.0 ptt? -49.04 -43.27 40.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 107' ' ' PHE . 16.1 m -52.28 -60.32 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.42 ' HA ' ' CA ' ' A' ' 116' ' ' GLY . 1.5 t30 -38.94 -40.06 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -43.84 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 111' ' ' CYS . 16.4 m170 -95.92 -67.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.752 ' CB ' HG11 ' A' ' 119' ' ' VAL . 1.8 m-85 -65.91 -68.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.42 ' CA ' ' HA ' ' A' ' 112' ' ' ASN . . . 143.14 -176.55 22.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.0 p -79.28 -48.85 13.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.7 t -48.98 -54.58 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.752 HG11 ' CB ' ' A' ' 115' ' ' PHE . 5.0 p -59.95 -47.92 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.489 ' N ' HG13 ' A' ' 119' ' ' VAL . . . -54.18 -57.37 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -38.51 -57.73 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.9 m -46.24 -41.72 13.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.8 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -29.53 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.7 p -81.44 4.91 19.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -84.55 109.4 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -53.2 170.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.43 HG22 ' HA ' ' A' ' 67' ' ' SER . 36.3 m -61.02 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.4 OUTLIER -37.52 -50.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' ASP . 29.4 mm100 -36.84 -54.55 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.537 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 80.4 m-85 -52.23 154.77 3.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.79 -177.19 14.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.329 0.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.763 ' HB2' HD12 ' A' ' 62' ' ' LEU . 77.9 mt -143.04 104.84 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -90.93 119.19 30.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.02 146.55 40.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 57.0 mt -114.96 127.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.446 HD13 HD12 ' A' ' 60' ' ' ILE . 5.0 mp -122.07 134.96 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.937 ' HA ' HD22 ' A' ' 57' ' ' LEU . 4.3 ptt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.752 0.31 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -156.37 144.02 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 146' ' ' VAL . 2.9 m -79.62 120.13 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 147' ' ' LEU . 2.5 mm? -72.78 -35.94 67.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -146.8 152.21 38.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.17 106.38 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.883 HD13 HD23 ' A' ' 159' ' ' LEU . 19.9 mt -92.1 139.88 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -77.69 -51.84 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 138.95 -25.3 2.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -75.38 0.8 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.958 0.408 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.3 t -73.87 171.23 13.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.167 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 67.4 p -87.76 136.89 32.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.558 ' HA ' HD12 ' A' ' 159' ' ' LEU . 12.8 p -42.36 -33.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.32 -43.18 78.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -54.44 -45.0 72.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.883 HD23 HD13 ' A' ' 150' ' ' ILE . 23.3 mt -47.59 -46.61 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 33.5 tpp -48.66 -58.04 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 162' ' ' ARG . 10.4 mtt -51.18 -56.63 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.693 ' HG3' HD11 ' A' ' 150' ' ' ILE . 11.9 mmp_? -36.58 -51.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 23.5 mt -57.5 -55.54 33.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.5 mmt -51.04 -50.56 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -42.85 -49.41 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.21 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 55.4 mmm -71.77 -56.36 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . 0.641 ' O ' HG22 ' A' ' 171' ' ' THR . 9.2 mm-40 -47.47 -40.97 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 69.8 mt -77.21 -50.81 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 170' ' ' PHE . 2.1 t80 -44.45 -52.73 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 168' ' ' GLU . 4.3 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.87 -63.85 1.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -39.99 -58.49 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.1 -48.26 22.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.12 -53.89 46.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 mt -40.33 -40.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.67 -43.91 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 1.1 t80 -67.23 -42.85 83.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.2 p -57.57 -53.85 53.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -60.6 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 20' ' ' PHE . 22.3 pt-20 -52.73 -41.45 64.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.1 t80 -63.3 -45.68 90.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 t -47.12 -51.26 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -76.62 -46.67 25.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -47.65 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 52.7 m-85 -90.43 -67.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.05 -167.79 40.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -101.24 0.78 38.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' HG11 ' A' ' 84' ' ' VAL . 10.4 m -81.8 18.0 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.32 153.43 40.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.3 Cg_endo -69.77 139.7 40.84 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.658 2.238 . . . . 0.0 112.327 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.94 114.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 73.7 m-85 -85.19 140.16 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 t80 -73.96 120.52 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -81.35 115.45 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.35 -157.74 27.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.0 t -97.09 152.48 18.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.821 HD23 ' CD2' ' A' ' 114' ' ' HIS . 66.1 tp -51.86 -45.46 64.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -42.43 -48.75 5.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -65.01 -55.03 21.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -36.09 -29.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' ALA . 34.0 m-85 -71.53 -57.24 4.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -54.9 -38.28 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -63.21 -12.64 29.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.91 -57.34 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' VAL . 9.3 m-85 -94.45 -70.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.47 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 25.9 m-85 -34.74 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.513 HG22 ' H ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -52.08 170.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.513 ' H ' HG22 ' A' ' 50' ' ' VAL . 23.0 tttp -52.36 149.31 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.5 -42.78 74.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -76.79 -38.33 54.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.472 ' O ' HG11 ' A' ' 50' ' ' VAL . 2.2 m-20 -83.06 17.39 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 15.7 mtm180 -58.65 143.07 47.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -147.21 174.79 11.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.788 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 98.3 mt -112.93 170.52 8.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 44' ' ' PHE . 16.7 tp -119.51 138.47 53.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.57 114.6 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.456 HG12 HD13 ' A' ' 137' ' ' ILE . 26.5 mm -79.62 138.64 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -132.67 124.88 29.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.782 HD11 HD13 ' A' ' 123' ' ' ILE . 42.0 mt -102.84 117.3 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -98.0 136.07 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.4 t-80 -143.5 118.75 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.2 -53.88 46.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 12.9 mm-40 -44.23 -47.5 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -58.45 117.32 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -62.26 -30.29 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.547 HD13 ' C ' ' A' ' 152' ' ' GLY . 13.4 mt -58.35 -43.78 88.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.5 m -56.22 -43.37 78.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -46.11 -58.32 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.641 HG23 ' N ' ' A' ' 73' ' ' PHE . 29.7 m -75.46 -54.47 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.641 ' N ' HG23 ' A' ' 72' ' ' VAL . 6.2 t80 -38.93 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' CE2' ' A' ' 28' ' ' TYR . 2.4 m -67.55 -51.19 53.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.472 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 17.0 m -95.34 -1.24 51.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' VAL . 90.6 mm-40 -105.59 -47.48 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.599 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.99 -51.51 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 68.3 mt -77.54 17.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 75' ' ' SER . 10.3 p -103.23 -34.08 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -56.62 102.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -56.17 -40.32 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 m -62.97 -44.42 96.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 45.1 mt -68.27 -64.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 31' ' ' CYS . 20.8 m -44.23 -33.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.0 m -78.05 -44.37 26.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -62.25 -43.69 98.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 91' ' ' PHE . 6.3 tp -64.87 -51.89 59.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 99.4 p -61.99 -43.88 97.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.1 -61.32 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -75.45 -62.27 1.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.788 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -86.33 176.67 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.0 mm -111.01 105.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.539 HG21 ' HB2' ' A' ' 33' ' ' PRO . 22.1 m -69.73 124.54 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.563 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 7.7 t90 -142.51 108.4 5.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -100.47 156.76 17.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -154.03 112.83 3.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -79.04 108.93 12.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.513 HD22 HD22 ' A' ' 62' ' ' LEU . 1.8 pt? -109.35 17.37 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 59.8 m -49.31 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 146.9 27.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 102' ' ' SER . 20.0 p-10 -52.71 -54.17 37.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 101' ' ' ASP . 10.7 t -35.59 -62.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' ARG . 28.3 m-20 -67.97 -44.46 76.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ASN . 32.5 ttt85 -35.68 -59.86 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.98 41.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -38.42 -58.42 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.448 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 18.0 t80 -49.13 -52.32 26.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.6 -44.92 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.8 m -57.65 -53.69 55.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 11.9 ptp -64.12 -36.5 84.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 110' ' ' MET . 4.1 t -53.07 -39.77 63.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 117' ' ' SER . 39.8 t-20 -62.89 -33.16 74.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -82.45 -56.54 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.821 ' CD2' HD23 ' A' ' 40' ' ' LEU . 29.2 m-70 -54.44 -68.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.572 ' CE1' HG12 ' A' ' 137' ' ' ILE . 18.6 m-85 -94.18 -68.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.414 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 161.62 160.12 10.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.507 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.464 ' HB3' ' ND2' ' A' ' 112' ' ' ASN . 27.1 p -54.07 -46.87 72.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 110.878 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.4 t -42.4 -55.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.3 t -54.6 -57.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -44.17 -54.84 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.044 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -49.35 -41.3 38.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 39.4 m -52.25 -40.73 62.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.782 HD13 HD11 ' A' ' 62' ' ' LEU . 78.3 mt -81.26 -42.28 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -57.7 -40.33 79.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.4 t -70.07 -28.77 65.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -63.28 150.91 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -80.66 163.86 23.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 42.2 m -59.64 -54.51 45.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.4 OUTLIER -50.03 -49.93 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 129' ' ' ASP . 67.3 mm-40 -34.16 -43.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.52 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 41.6 m-85 -52.09 156.28 2.79 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.638 0.733 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.6 Cg_endo -69.75 -177.27 14.16 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.72 -1.784 . . . . 0.0 112.353 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.676 ' HB2' HD12 ' A' ' 62' ' ' LEU . 19.3 mt -133.62 108.72 8.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -96.22 110.23 22.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.5 mp -112.39 153.35 27.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.472 HD12 ' HB2' ' A' ' 148' ' ' ASN . 62.2 mt -124.43 122.27 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 137' ' ' ILE . 3.9 mp -107.88 137.31 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.465 ' SD ' ' CD2' ' A' ' 57' ' ' LEU . 6.1 tpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.8 p30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.793 0.33 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -167.97 159.99 11.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.58 114.95 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 138' ' ' MET . 10.3 mp -80.21 -61.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . 0.472 ' HB2' HD12 ' A' ' 136' ' ' ILE . 29.9 m120 -106.94 143.31 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 98.2 t -127.7 104.86 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.51 ' CG2' HG21 ' A' ' 154' ' ' THR . 65.3 mt -100.08 133.99 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -94.75 159.16 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.547 ' C ' HD13 ' A' ' 69' ' ' LEU . . . -59.87 -22.07 56.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -81.5 17.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.51 HG21 ' CG2' ' A' ' 150' ' ' ILE . 7.6 t -85.74 169.74 13.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 30.4 p -99.56 141.86 31.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.42 -30.39 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.9 -53.95 18.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -43.39 -46.44 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 86.8 mt -41.69 -66.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.406 ' HA ' HD12 ' A' ' 163' ' ' LEU . 15.3 ttm -44.69 -57.56 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 26.6 mtm -50.5 -61.54 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -43.56 -50.85 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 160' ' ' MET . 84.9 mt -48.43 -59.42 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 53.5 mtp -47.19 -56.63 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -44.94 -60.54 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -42.87 -43.34 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 30.4 mtp -58.71 -41.0 85.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . 0.756 ' O ' HG22 ' A' ' 171' ' ' THR . 14.9 mt-10 -59.23 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 76.0 mt -39.83 -52.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -39.43 -59.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 168' ' ' GLU . 1.4 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 27.3 tt0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -37.67 -61.8 1.04 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.875 ' HA ' HD12 ' A' ' 18' ' ' LEU . 7.1 m-20 -47.72 -48.29 29.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 13' ' ' GLU . . . -45.01 -44.49 10.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.68 -43.34 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 15' ' ' ASP . 10.2 mt -46.49 -46.09 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -58.27 -60.7 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -50.95 -60.05 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -38.88 -56.8 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.27 76.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -56.89 -62.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -46.2 -54.69 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.6 t -37.5 -64.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 t -63.81 -47.13 82.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -40.29 -62.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.599 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 14.6 m-85 -92.51 -63.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.02 165.74 34.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.46 -44.11 96.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -53.16 114.92 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' ND1' ' C ' ' A' ' 32' ' ' HIS . 2.7 p80 -167.79 152.99 6.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.449 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.79 134.45 27.94 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.13 109.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.434 ' CD1' HG22 ' A' ' 93' ' ' THR . 70.1 m-85 -88.18 125.65 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 7.6 t80 -69.65 120.12 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.7 mm -82.11 106.69 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.17 -154.9 25.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -103.33 148.47 25.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 40.3 tp -46.54 -40.43 12.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 5.6 mm-40 -63.75 -40.1 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.68 43.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.63 -49.42 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 41' ' ' GLU . 23.7 m-85 -41.59 -42.23 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.502 ' C ' ' H ' ' A' ' 47' ' ' ALA . 30.9 mt-30 -59.47 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.403 ' C ' HG13 ' A' ' 50' ' ' VAL . 1.1 tp10 -58.45 -1.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -93.92 -50.87 5.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 138' ' ' MET . 3.8 m-85 -117.96 -33.64 4.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 3.7 m-85 -69.02 -0.11 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.763 HG23 ' H ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -64.83 -72.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.113 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.763 ' H ' HG23 ' A' ' 50' ' ' VAL . 66.5 mmtt -153.37 143.43 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.02 -26.03 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -102.89 -37.25 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.479 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 5.2 t70 -80.93 12.69 3.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -57.5 108.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 33.8 mtmt -109.47 176.57 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.777 HD22 ' HA ' ' A' ' 138' ' ' MET . 13.8 mt -111.94 163.56 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.948 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 59' ' ' ALA . 15.0 tp -107.97 154.53 21.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.635 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -136.24 105.88 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' A' ' 137' ' ' ILE . 41.6 mm -69.06 136.82 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.502 ' CE2' HD11 ' A' ' 78' ' ' LEU . 40.3 t80 -133.55 102.35 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 107' ' ' PHE . 96.5 mt -84.01 116.81 23.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -92.58 134.61 34.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 2.8 t-80 -139.39 110.09 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 10.4 t70 -62.84 -60.06 4.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.495 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 51.3 mm-40 -34.39 -45.77 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 t -52.45 140.09 23.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 m -84.92 -34.31 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 70' ' ' THR . 14.1 mt -65.62 -48.54 71.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 69' ' ' LEU . 88.7 m -32.05 -40.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.1 m-20 -50.94 -65.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' GLN . 33.8 m -72.14 -38.93 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 5.5 t80 -43.61 -56.41 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 28' ' ' TYR . 25.2 p -77.47 -43.34 32.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.403 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 9.1 t -62.44 -17.8 60.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' VAL . 36.3 mm-40 -109.45 -37.86 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.405 ' SD ' HD11 ' A' ' 159' ' ' LEU . 35.0 mtt -94.02 -70.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.502 HD11 ' CE2' ' A' ' 61' ' ' TYR . 15.0 mt -50.03 -24.87 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.3 m -78.12 -30.1 49.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 84' ' ' VAL . . . -59.47 125.46 23.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 84' ' ' VAL . 36.1 mt-10 -69.81 -58.14 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.473 ' O ' ' HE1' ' A' ' 160' ' ' MET . 4.6 m -45.38 -23.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.451 HG13 ' CG2' ' A' ' 156' ' ' VAL . 28.7 mm -85.43 -65.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 81' ' ' GLU . 14.0 m -53.14 -24.67 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.6 p -71.48 -56.1 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.657 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 53.2 t80 -68.7 -47.04 67.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.93 -33.58 72.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 35.7 t -84.7 -38.22 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -76.49 -61.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.657 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 2.5 m-80 -69.11 -47.43 65.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 167' ' ' MET . 3.2 m-85 -106.59 175.41 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.8 mm -109.11 114.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.434 HG22 ' CD1' ' A' ' 35' ' ' PHE . 62.0 m -71.31 126.71 30.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 76.1 t90 -146.66 112.28 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.47 157.69 17.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -147.42 125.05 11.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -83.8 105.35 14.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -113.01 10.05 18.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.4 m -54.91 -51.15 66.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 101' ' ' ASP . 31.3 mtmt -65.74 127.81 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -36.57 -61.01 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 61.4 m -40.61 -55.49 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -61.79 -49.56 75.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -43.7 -50.86 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.17 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -50.6 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 62' ' ' LEU . 66.9 t80 -51.97 -41.86 62.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.409 ' HA ' ' SG ' ' A' ' 111' ' ' CYS . 16.4 mt -71.55 -18.71 62.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.8 m -89.06 -40.39 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.28 -30.46 54.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 108' ' ' LEU . 19.9 p -59.75 -30.8 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -60.77 -39.06 87.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 114' ' ' HIS . 37.9 mtm180 -94.85 -66.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 113' ' ' ARG . 20.0 m170 -33.13 -65.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -92.83 -63.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.79 -169.95 34.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 55.5 m -85.55 -48.86 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.9 t -41.66 -65.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 120' ' ' ALA . 11.3 m -57.2 -40.15 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 123' ' ' ILE . . . -53.6 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 120' ' ' ALA . 52.2 tt0 -34.89 -55.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.4 m -53.76 -40.49 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 120' ' ' ALA . 39.4 mm -62.79 -24.61 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -82.44 -29.5 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.7 p -92.24 15.91 12.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.562 ' OE1' HD21 ' A' ' 133' ' ' LEU . 28.1 mm-40 -86.86 129.09 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -81.83 162.3 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.1 m -59.52 -55.97 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -48.81 -48.99 41.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -41.4 -48.69 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.517 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 33.5 m-85 -52.19 157.75 2.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.67 0.748 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.9 Cg_endo -69.76 -178.03 15.84 Favored 'Cis proline' 0 C--O 1.232 0.215 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.339 -0.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.562 HD21 ' OE1' ' A' ' 126' ' ' GLN . 46.1 mt -130.86 104.92 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.635 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 7.5 t80 -95.65 118.11 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.631 HD23 HG11 ' A' ' 146' ' ' VAL . 5.6 mp -117.79 146.21 43.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 95.2 mt -100.88 112.46 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.467 ' CG1' HG12 ' A' ' 60' ' ' ILE . 10.8 mm -92.17 135.46 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.777 ' HA ' HD22 ' A' ' 57' ' ' LEU . 5.0 ttp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -151.08 146.63 26.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.631 HG11 HD23 ' A' ' 135' ' ' LEU . 4.3 m -89.8 127.2 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 138' ' ' MET . 64.1 mt -82.13 -32.2 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -150.54 152.06 33.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 86.1 t -121.54 122.15 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.403 HG21 HG21 ' A' ' 154' ' ' THR . 22.5 mt -111.05 138.99 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -88.3 177.56 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 73' ' ' PHE . . . -77.74 -21.92 70.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 153' ' ' ASN . 24.5 t-20 -82.61 16.43 2.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 159' ' ' LEU . 6.4 t -80.54 160.7 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.8 p -91.4 133.35 35.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 157' ' ' ASP . 7.8 p -40.77 -48.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.543 ' N ' HG13 ' A' ' 156' ' ' VAL . 1.3 m-20 -54.69 -54.25 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -41.88 -44.84 3.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 154' ' ' THR . 54.4 mt -52.75 -62.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.473 ' HE1' ' O ' ' A' ' 82' ' ' SER . 34.5 tpp -42.18 -43.17 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 8.9 mtt -69.41 -61.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -46.01 -37.86 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 32.6 mt -71.1 -68.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 165' ' ' ALA . 5.0 ptp -43.81 -34.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.566 ' O ' HD12 ' A' ' 169' ' ' ILE . . . -58.8 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.47 -40.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 91' ' ' PHE . 12.5 mmm -70.3 -50.08 43.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 165' ' ' ALA . 5.1 mt-10 -57.43 -43.93 84.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 165' ' ' ALA . 5.1 mp -72.68 -49.21 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -38.61 -63.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 -179.899 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 39' ' ' SER . 44.6 mt-10 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.868 0.366 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -37.13 -66.4 0.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.37 -44.72 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.65 62.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' LEU . 96.1 mt -57.43 -56.38 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.8 mt -34.27 -44.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -64.19 -50.27 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.8 t80 -67.66 -58.57 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.429 HG23 ' CD2' ' A' ' 35' ' ' PHE . 19.3 m -48.35 -51.69 25.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.18 -54.21 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' PHE . 23.9 mt-10 -67.42 -62.52 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 t80 -37.26 -40.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -62.46 -52.84 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -72.96 -58.8 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -39.19 -37.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD2' ' HD2' ' A' ' 27' ' ' ARG . 22.4 m-85 -94.43 -64.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 164.58 153.47 7.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -46.51 -39.46 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.846 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.2 m -63.81 105.17 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 34.0 p80 -167.75 152.08 6.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HG3' HD22 ' A' ' 78' ' ' LEU . 53.4 Cg_endo -69.79 140.69 43.19 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.4 p -59.67 117.72 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.429 ' CD2' HG23 ' A' ' 21' ' ' THR . 94.0 m-85 -92.76 134.17 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -78.32 120.74 23.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.95 114.5 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.09 -154.01 25.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 13' ' ' GLU . 20.0 m -101.29 160.47 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 37.0 tp -53.65 -45.41 70.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 38.1 mt-10 -53.14 -47.93 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.55 -52.23 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -40.9 -44.31 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 41' ' ' GLU . 24.9 m-85 -47.68 -40.85 21.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -64.01 -31.42 72.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.609 ' HA ' HG13 ' A' ' 50' ' ' VAL . 6.7 tp10 -107.76 9.22 29.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -98.0 -66.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -110.3 -37.74 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 3.0 m-85 -51.13 -30.44 16.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' ' 46' ' ' GLU . 19.7 m -55.46 174.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -58.72 171.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.48 -37.38 71.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -76.17 -31.82 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.51 9.81 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -53.3 146.22 12.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -151.54 173.28 14.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 55.1 mt -112.4 161.57 16.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 tp -106.82 129.27 54.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.22 111.38 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.445 ' CD1' HG13 ' A' ' 137' ' ' ILE . 5.2 mp -77.3 133.98 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -118.71 106.08 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.725 HD22 HD22 ' A' ' 98' ' ' LEU . 64.1 mt -83.28 122.18 28.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -102.51 126.18 49.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 13.9 t-80 -130.74 114.93 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.1 t70 -61.99 -61.33 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 76.0 mt-10 -35.26 -46.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -61.01 143.85 54.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -88.39 -38.89 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 71' ' ' ASN . 12.6 mt -49.64 -47.09 50.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 69' ' ' LEU . 54.1 m -32.92 -33.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 69' ' ' LEU . 26.4 t-20 -72.14 -65.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.564 HG23 ' N ' ' A' ' 73' ' ' PHE . 32.9 m -61.78 -47.83 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' N ' HG23 ' A' ' 72' ' ' VAL . 3.2 t80 -40.46 -53.63 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.422 ' HB3' HD12 ' A' ' 78' ' ' LEU . 27.4 p -78.13 -48.99 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 4.9 m -60.81 -13.58 16.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 72' ' ' VAL . 78.2 mm-40 -110.55 -39.28 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.52 ' HA ' HG22 ' A' ' 156' ' ' VAL . 30.8 mtt -97.89 -58.37 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.422 HD12 ' HB3' ' A' ' 74' ' ' CYS . 90.8 mt -74.37 12.45 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.486 ' HB3' ' C ' ' A' ' 75' ' ' SER . 1.8 p -97.93 -26.81 14.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.528 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -77.27 131.1 38.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 pm0 -66.78 -29.44 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 81' ' ' GLU . 40.2 m -69.67 -49.22 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.459 HG13 HG13 ' A' ' 156' ' ' VAL . 50.6 mm -63.42 -48.3 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 80' ' ' ALA . 35.6 m -63.0 -40.25 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 84' ' ' VAL . 5.7 m -69.57 -48.98 58.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.614 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 2.0 t80 -64.73 -44.58 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' PHE . 11.0 tp -63.73 -41.51 98.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 p -73.4 -38.44 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -75.05 -61.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.614 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 9.7 m-80 -65.98 -48.67 70.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 1.9 m-85 -108.68 175.13 5.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.1 mm -104.27 116.39 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.6 m -77.16 109.58 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.513 ' CH2' ' HB2' ' A' ' 40' ' ' LEU . 58.5 t90 -141.21 111.67 6.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.83 167.16 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -151.76 104.71 3.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.09 104.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.725 HD22 HD22 ' A' ' 62' ' ' LEU . 1.7 pt? -110.41 17.79 20.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.3 m -47.0 -48.02 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.6 151.97 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 102' ' ' SER . 40.3 m-20 -58.67 -58.06 10.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 101' ' ' ASP . 23.4 t -36.59 -53.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -71.17 -41.92 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -46.01 -55.19 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.15 75.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' A' ' 110' ' ' MET . 12.1 ttm180 -50.49 -41.13 52.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -69.43 -44.26 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.39 -50.61 72.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.9 m -61.07 -65.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.408 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 3.8 ppp? -46.4 -37.85 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.7 m -65.12 -60.49 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.431 ' HA ' ' C ' ' A' ' 116' ' ' GLY . 3.0 t30 -42.23 -29.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -74.31 -49.93 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -77.51 -65.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -75.98 -68.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.431 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 148.96 160.98 9.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.7 t -58.61 -44.69 89.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 31.4 m -44.91 -32.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.8 t -81.12 -45.59 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.05 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 122' ' ' THR . 6.1 tm0? -48.0 -51.03 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.48 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 36.9 m -45.74 -53.49 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.45 -43.85 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -57.6 -33.07 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.7 p -81.61 15.16 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -106.62 159.38 16.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -85.74 169.81 13.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 21.6 m -68.45 -55.42 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.3 OUTLIER -48.09 -47.8 34.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.827 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 129' ' ' ASP . 24.5 mt-30 -33.82 -44.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.516 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 14.0 m-85 -54.75 157.05 5.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 54.0 Cg_endo -69.76 177.97 27.04 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.35 0.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 151' ' ' GLN . 14.9 mt -128.01 110.42 12.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -95.69 119.37 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 135' ' ' LEU . 2.7 mp -125.48 133.06 52.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 37.2 mt -93.28 107.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.613 ' CD1' HG22 ' A' ' 146' ' ' VAL . 21.0 mm -102.73 102.03 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 21.3 ttp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.854 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.796 0.331 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -163.23 171.59 16.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.613 HG22 ' CD1' ' A' ' 137' ' ' ILE . 96.9 t -106.1 133.61 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 33.4 mt -97.91 -67.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . 0.651 ' ND2' HH11 ' A' ' 162' ' ' ARG . 36.0 m-20 -118.35 149.75 40.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 85.4 t -132.26 110.34 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 41.3 mt -96.67 117.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.448 ' O ' HD23 ' A' ' 133' ' ' LEU . 24.0 mt-30 -49.63 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 163.1 -22.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -80.86 13.95 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.7 t -67.09 176.73 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 76.4 p -123.28 149.21 45.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 77' ' ' MET . 60.8 t -40.31 -50.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -51.04 -42.71 60.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -61.46 -39.86 92.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.405 HD11 ' SD ' ' A' ' 77' ' ' MET . 88.2 mt -60.0 -48.04 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 160' ' ' MET . 6.2 mmt -47.54 -62.04 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -44.18 92.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.651 HH11 ' ND2' ' A' ' 148' ' ' ASN . 19.5 mmt180 -50.31 -45.22 54.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 35.6 mt -75.18 -45.86 37.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 8.5 mmt -51.61 -57.72 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -47.5 -54.56 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -54.12 -60.52 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -46.05 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.02 -61.03 2.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 90.8 mt -39.79 -47.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 170' ' ' PHE . 5.4 t80 -44.64 -60.58 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.938 0.399 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.05 -63.16 4.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.599 ' HA ' HD12 ' A' ' 18' ' ' LEU . 52.3 m-20 -62.3 -47.1 85.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.55 -48.79 48.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' LEU . 30.2 mt -61.63 -54.21 45.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 15' ' ' ASP . 11.1 mt -33.56 -45.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.3 -56.06 17.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -54.23 -50.75 66.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 p -58.37 -45.45 88.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.53 -57.43 11.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 24' ' ' PHE . 14.2 pt-20 -56.18 -42.88 77.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 t80 -58.3 -44.48 88.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 29' ' ' GLY . 12.8 t -48.27 -64.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -66.13 -49.3 67.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -39.62 -58.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -90.71 -64.34 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -175.15 147.63 9.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -51.17 -45.1 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.1 m -62.71 114.58 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -167.54 154.54 7.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HG3' HD22 ' A' ' 78' ' ' LEU . 53.7 Cg_endo -69.75 132.1 22.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.5 p -56.17 120.83 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -95.64 122.29 38.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.12 117.41 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.7 109.26 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.05 -146.09 12.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -117.45 143.44 46.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.627 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 20.9 tp -43.71 -41.54 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -46.41 -53.33 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.94 88.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.31 -45.3 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -53.43 -40.16 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -68.56 -54.72 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' C ' ' HB ' ' A' ' 50' ' ' VAL . 15.7 tp10 -64.87 -3.68 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.93 -61.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 50' ' ' VAL . 34.7 m-85 -98.03 -49.44 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -76.57 17.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 51' ' ' LYS . 12.8 p -78.76 -45.48 25.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.519 ' N ' HG13 ' A' ' 50' ' ' VAL . 46.6 mmtt -149.29 178.0 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.37 -34.07 12.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -115.5 -24.44 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 51' ' ' LYS . 2.1 m-20 -89.14 17.98 5.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 29.2 mtt180 -52.09 111.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 24.5 mtmm -95.66 178.73 5.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.681 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 25.0 mt -111.92 150.59 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.7 tp -104.91 152.78 22.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.7 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -148.18 118.17 7.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.18 141.43 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 132' ' ' PRO . 46.0 t80 -131.5 105.06 7.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.514 ' HB3' HD22 ' A' ' 98' ' ' LEU . 35.9 mt -85.74 113.14 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -87.27 135.78 33.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 5.1 t-80 -140.18 123.56 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' GLU . 6.7 t0 -72.39 -61.33 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.547 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.5 mt-10 -33.7 -45.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 t -52.96 156.11 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.1 m -103.7 -27.33 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 12.7 mt -74.79 -17.66 60.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' VAL . 39.9 m -75.92 -65.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 70' ' ' THR . 0.5 OUTLIER -34.31 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 73' ' ' PHE . 34.5 m -96.01 -44.23 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 18.1 t80 -65.6 -10.91 39.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 32.0 p -93.28 -38.16 11.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 m -98.01 -15.36 20.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.3 mm-40 -98.56 -57.58 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.572 ' SD ' HG22 ' A' ' 156' ' ' VAL . 0.0 OUTLIER -79.67 -71.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.544 HD22 ' HG3' ' A' ' 33' ' ' PRO . 11.1 mt -41.57 -24.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -82.51 17.98 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -78.76 102.17 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.92 -36.72 49.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -70.17 -40.35 74.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 55.8 mt -73.76 -67.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ILE . 17.4 m -36.93 -30.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' ILE . 28.5 t -79.59 -54.8 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 t80 -71.21 -56.18 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' PHE . 17.1 tp -43.96 -32.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.0 m -92.49 -44.6 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -65.92 -60.04 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 5.2 m-80 -76.38 -46.92 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.4 m-85 -104.6 170.55 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -103.66 113.42 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.2 m -80.06 127.83 32.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.627 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 72.9 t90 -150.59 114.84 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.07 159.7 16.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -149.75 123.25 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.66 104.24 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pt? -111.59 14.62 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' LEU . 54.5 m -37.34 -68.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -63.54 158.42 21.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -65.16 -50.49 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.2 m -39.22 -41.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -78.89 -55.2 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -39.8 -52.06 2.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -53.39 -57.27 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' ALA . 25.8 mtt-85 -37.74 -59.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.446 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 90.9 t80 -46.43 -50.08 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.26 -43.53 87.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -62.8 -59.94 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.462 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 8.1 ptp -56.58 -37.19 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 110' ' ' MET . 34.3 m -65.84 -48.69 70.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -43.06 -35.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -91.11 -60.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -48.07 -62.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -90.92 -65.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 155.42 176.2 27.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.5 m -76.97 -30.2 55.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.798 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.61 -58.76 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 120' ' ' ALA . 5.0 m -56.18 -40.27 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.423 ' N ' HG23 ' A' ' 119' ' ' VAL . . . -51.71 -60.06 3.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' ALA . 14.3 tm0? -37.7 -59.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.9 m -48.68 -45.12 38.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.0 mm -56.94 -37.48 54.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -64.29 -46.36 83.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 71.9 p -66.49 -41.72 88.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.577 ' HB3' HD11 ' A' ' 133' ' ' LEU . 47.0 mm-40 -52.75 104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -64.54 172.95 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 129' ' ' ASP . 49.2 m -58.63 -59.37 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.7 OUTLIER -35.55 -54.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' ASP . 30.7 mm-40 -37.23 -45.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 39.1 m-85 -54.85 155.81 7.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.587 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 53.9 Cg_endo -69.8 135.08 32.11 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.347 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 126' ' ' GLN . 20.6 mt -87.81 102.7 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.7 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -95.84 119.06 33.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 135' ' ' LEU . 4.0 mp -121.0 136.91 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 79.9 mt -98.8 119.36 46.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.437 ' CD1' HG22 ' A' ' 146' ' ' VAL . 42.1 mm -97.79 140.59 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.405 ' HB3' ' CD1' ' A' ' 147' ' ' LEU . 5.3 ttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -154.91 157.07 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 137' ' ' ILE . 48.4 t -88.08 111.85 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 138' ' ' MET . 78.6 mt -76.27 -60.37 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -116.81 152.99 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 99.1 t -131.69 110.65 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.3 mt -100.08 120.38 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.1 -61.79 2.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 151.72 -20.02 0.89 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -82.07 14.04 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 13.8 t -80.35 168.12 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.8 p -89.96 144.56 25.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.572 HG22 ' SD ' ' A' ' 77' ' ' MET . 65.6 t -43.02 -51.93 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -49.56 -55.17 14.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -42.93 -52.6 5.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 156' ' ' VAL . 13.6 mt -51.77 -51.21 58.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.4 ' HA ' ' HE3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -51.68 -48.55 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 30.0 mtp -63.91 -54.06 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -40.27 -58.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 85.9 mt -49.31 -56.55 9.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.3 mmm -53.69 -41.77 67.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 168' ' ' GLU . . . -59.66 -39.55 84.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.9 81.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 168' ' ' GLU . 6.0 mmm -69.66 -67.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 10.9 pt-20 -37.56 -42.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.477 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 91.6 mt -68.67 -46.36 79.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -48.86 -54.93 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' GLY . 35.0 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.924 0.393 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.4 -59.04 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -45.2 95.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.88 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LEU . 99.1 mt -60.15 -57.82 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' HD12 ' A' ' 37' ' ' ILE . 12.0 mt -33.84 -56.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -51.81 -50.3 61.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.68 -57.14 13.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.6 p -50.57 -42.59 55.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.178 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.93 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' PHE . 17.9 mm-40 -59.02 -61.14 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' GLU . 11.7 t80 -36.09 -58.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -39.8 -50.77 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -71.95 -43.54 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -41.16 -57.24 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.422 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 23.1 m-85 -97.85 -63.34 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.92 151.79 10.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.555 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -50.01 -43.47 50.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.02 107.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -167.11 156.01 9.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.6 Cg_endo -69.72 129.29 17.37 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.8 t -53.55 102.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.455 ' CD1' HG22 ' A' ' 93' ' ' THR . 54.6 m-85 -78.11 130.73 36.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -70.44 129.2 38.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.459 HD12 ' HG ' ' A' ' 18' ' ' LEU . 23.5 mm -91.63 116.5 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.83 -148.58 19.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.3 m -110.48 148.72 31.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 10.0 tp -43.62 -44.54 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -43.85 -51.48 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.03 -18.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 58' ' ' LEU . 15.5 m-85 -87.84 -51.71 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.524 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.23 -41.31 94.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 45' ' ' GLN . 17.2 tp10 -61.58 -7.6 3.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.426 ' C ' HG22 ' A' ' 50' ' ' VAL . . . -117.5 -37.97 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 138' ' ' MET . 1.7 m-85 -97.6 -64.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 4.8 m-85 -43.29 -37.51 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.791 HG23 ' H ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -33.76 -76.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.791 ' H ' HG23 ' A' ' 50' ' ' VAL . 1.5 mmmp? -157.18 133.54 9.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.424 ' O ' ' NE ' ' A' ' 55' ' ' ARG . . . -50.65 -20.52 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -98.28 -46.72 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.08 17.9 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 52' ' ' ALA . 13.1 mtm180 -53.54 141.23 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -128.02 175.86 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.896 HD22 ' HA ' ' A' ' 138' ' ' MET . 28.9 mt -117.23 146.2 43.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 44' ' ' PHE . 17.2 tp -104.41 146.87 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.604 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -136.14 105.62 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.454 ' H ' HD12 ' A' ' 60' ' ' ILE . 5.0 mp -70.25 119.53 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.506 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 11.5 t80 -104.13 106.66 17.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.567 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 44.2 mt -84.53 119.82 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -99.31 113.17 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 4.9 t-80 -124.27 116.17 22.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' GLU . 6.0 t70 -63.17 -56.84 13.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 25.8 mt-10 -34.49 -39.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.2 t -61.46 150.7 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -92.33 -36.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 129' ' ' ASP . 25.2 mt -63.57 -46.58 85.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.478 ' CA ' ' HD3' ' A' ' 132' ' ' PRO . 34.1 m -46.36 -29.2 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -61.48 -65.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' GLN . 10.6 m -69.76 -46.31 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 4.6 t80 -54.31 -14.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 34.6 t -83.42 -48.51 10.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.426 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 97.5 p -97.37 -1.98 43.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' VAL . 54.9 mm-40 -105.3 -51.29 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.549 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -91.41 -68.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 14.7 mt -44.0 -40.41 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.1 m -64.89 -32.16 73.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -52.06 113.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.612 ' HA ' HG22 ' A' ' 84' ' ' VAL . 3.9 mm-40 -63.86 -40.2 96.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m -52.63 -26.75 14.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 85' ' ' SER . 49.2 mm -90.53 -67.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' ' 81' ' ' GLU . 32.9 m -45.61 -20.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 83' ' ' ILE . 14.6 m -75.34 -59.35 2.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 13.8 t80 -70.9 -44.47 66.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' PHE . 17.5 tp -57.16 -35.17 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.0 t -86.8 -42.8 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -69.92 -61.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.563 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 10.0 m-80 -72.24 -48.93 39.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 2.8 m-85 -104.42 175.59 5.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.4 HG13 ' HB2' ' A' ' 47' ' ' ALA . 13.2 mm -109.81 109.23 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.598 HG21 ' HB2' ' A' ' 33' ' ' PRO . 48.3 m -71.19 131.9 44.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.505 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 4.8 t90 -148.0 126.43 12.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -115.17 143.35 45.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -143.3 102.79 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -66.86 109.05 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -116.08 16.62 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.0 m -47.38 -45.33 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -82.2 132.4 35.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -42.46 -44.09 3.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.5 m -40.63 -57.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -71.42 -45.15 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.96 -55.3 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.15 -53.18 56.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -46.91 -48.36 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 48.1 t80 -59.5 -36.11 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.671 ' CD2' ' HB1' ' A' ' 120' ' ' ALA . 28.8 mt -74.35 -35.06 63.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.3 m -67.64 -50.16 59.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 23.0 ptp -65.74 -43.27 89.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.679 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -66.42 -39.05 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -55.01 -33.36 62.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -94.39 -65.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -39.43 -67.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.562 ' CE1' HG12 ' A' ' 137' ' ' ILE . 26.5 m-85 -88.02 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.31 169.34 25.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.7 m -69.27 -52.28 29.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.0 t -42.31 -58.28 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.9 t -47.76 -65.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.679 ' HB2' ' SG ' ' A' ' 111' ' ' CYS . . . -47.71 -44.35 27.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -54.15 -44.46 71.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.2 m -50.12 -43.86 51.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.534 HG23 HD12 ' A' ' 133' ' ' LEU . 49.6 mt -70.62 -30.38 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.9 ttt-85 -71.39 -50.75 28.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.1 t -69.55 -24.62 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.424 ' CD ' ' HG3' ' A' ' 130' ' ' GLN . 6.7 mm100 -62.84 157.59 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -87.01 145.42 26.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 91.3 m -49.95 -38.7 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -51.04 -49.46 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 29.9 mm-40 -36.66 -46.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 61.5 m-85 -52.48 154.77 4.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.2 Cg_endo -69.67 132.1 21.14 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.349 -0.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 123' ' ' ILE . 12.8 mt -89.19 102.14 14.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.604 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.0 t80 -94.98 116.14 28.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 135' ' ' LEU . 4.7 mp -115.03 162.76 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.448 ' C ' HD12 ' A' ' 137' ' ' ILE . 38.8 mt -130.2 142.53 43.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 145' ' ' GLU . 4.7 mp -134.88 138.27 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.896 ' HA ' HD22 ' A' ' 57' ' ' LEU . 2.7 tmm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.478 ' HB3' HG21 ' A' ' 137' ' ' ILE . 24.9 m-80 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.801 0.334 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 137' ' ' ILE . 15.9 pt-20 -140.37 158.56 43.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.3 t -90.57 136.76 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.86 -66.72 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' A' ' 136' ' ' ILE . 38.9 m-20 -122.16 144.48 48.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.0 108.89 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.532 HG21 HG21 ' A' ' 154' ' ' THR . 47.0 mt -103.51 125.05 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 132' ' ' PRO . 24.9 mp0 -54.72 -63.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 152.92 -23.36 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -81.25 10.61 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.532 HG21 HG21 ' A' ' 150' ' ' ILE . 12.9 t -70.99 165.67 22.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 156' ' ' VAL . 76.4 p -88.04 133.9 33.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 157' ' ' ASP . 10.9 p -36.17 -42.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.477 ' N ' HG13 ' A' ' 156' ' ' VAL . 9.4 t0 -60.34 -52.43 65.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -43.41 -40.19 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.3 mt -58.96 -45.33 90.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.78 -58.71 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.4 ptm -64.5 -49.75 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -43.72 -47.74 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.46 -48.98 79.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.9 mtm -51.65 -53.85 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -44.1 -54.32 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -48.09 -42.8 29.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 11.8 mtp -60.83 -57.38 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -54.74 -48.68 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.24 -36.01 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -63.97 -61.24 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.195 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.924 0.392 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.31 -50.49 40.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.57 -47.93 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.89 88.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.19 -35.57 79.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.08 -39.69 82.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -73.09 -46.54 50.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -61.59 -40.97 96.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 p -66.38 -60.36 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.34 -50.84 28.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.16 -53.76 44.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CE1' ' CD1' ' A' ' 28' ' ' TYR . 63.6 t80 -45.72 -64.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 t -53.22 -42.95 66.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -51.88 -32.65 33.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 2.8 ttm180 -95.9 -63.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 24' ' ' PHE . 29.0 m-85 -56.44 -61.49 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.31 166.94 21.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.44 -49.18 72.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.9 m -52.34 111.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -167.25 153.63 7.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.608 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.4 Cg_endo -69.75 126.69 13.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.9 t -53.16 102.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -74.62 134.35 42.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -74.15 110.66 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.6 mm -70.27 102.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.97 -173.02 44.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.3 t -89.71 151.33 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.969 0.414 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.525 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 54.2 tp -43.61 -33.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 41' ' ' GLU . 4.8 tp10 -76.42 -44.9 33.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.06 -36.73 75.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.45 82.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CE1' HD23 ' A' ' 58' ' ' LEU . 16.8 m-85 -47.71 -37.15 12.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.467 ' HG2' ' CG ' ' A' ' 49' ' ' TYR . 48.0 mt-30 -57.18 -60.52 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.01 -17.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.47 -57.25 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -97.0 -67.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.467 ' CG ' ' HG2' ' A' ' 45' ' ' GLN . 23.0 m-85 -37.94 -32.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.513 HG22 ' H ' ' A' ' 51' ' ' LYS . 4.5 p -51.94 167.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.17 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.513 ' H ' HG22 ' A' ' 50' ' ' VAL . 50.0 mmtt -53.3 163.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.428 ' HA ' ' NH1' ' A' ' 55' ' ' ARG . . . -65.16 -43.21 92.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -75.7 -39.75 56.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -79.53 12.27 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 59.6 mtm-85 -55.06 148.73 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -153.82 171.65 18.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.647 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 90.7 mt -113.38 153.0 29.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.462 HD23 ' CE1' ' A' ' 44' ' ' PHE . 31.0 tp -104.54 123.09 46.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.537 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -114.57 105.73 13.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.722 HG12 HD13 ' A' ' 137' ' ' ILE . 32.4 mm -70.12 139.17 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.501 ' CE2' HD11 ' A' ' 78' ' ' LEU . 1.8 t80 -134.66 115.74 14.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 107' ' ' PHE . 74.6 mt -93.15 118.59 31.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -100.58 132.19 46.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.427 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 12.3 t-80 -136.64 108.2 6.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.2 m-20 -53.32 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' ASP . 26.2 mt-10 -34.72 -41.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -58.08 147.97 27.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.46 -25.46 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.8 mt -70.38 -23.81 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.508 HG23 ' HD3' ' A' ' 132' ' ' PRO . 0.6 OUTLIER -62.34 -35.1 78.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.12 -48.08 71.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.591 HG23 ' N ' ' A' ' 73' ' ' PHE . 20.5 m -91.09 -53.34 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 1.7 t80 -43.05 -30.98 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.449 ' CB ' HD12 ' A' ' 78' ' ' LEU . 52.1 m -96.43 -14.42 22.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 72' ' ' VAL . 36.7 t -95.91 -18.65 20.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.806 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -110.0 -42.13 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.628 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 17.0 mtt -84.58 -61.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.501 HD11 ' CE2' ' A' ' 61' ' ' TYR . 34.9 mt -65.6 -42.01 92.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.464 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.6 m -81.31 17.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -91.99 110.61 21.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.52 -28.85 65.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 p -74.57 -51.62 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.4 mm -59.73 -59.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 85' ' ' SER . 15.4 m -49.96 -42.21 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 84' ' ' VAL . 4.4 m -54.6 -43.14 71.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.631 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 14.1 t80 -89.22 -65.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 91' ' ' PHE . 11.1 tp -35.83 -40.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -79.19 -48.77 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.59 -61.44 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.631 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 9.0 m-80 -72.82 -61.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.647 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.4 m-85 -91.31 178.58 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mm -110.18 130.62 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.608 HG21 ' HB2' ' A' ' 33' ' ' PRO . 59.2 m -83.19 125.62 31.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.525 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 10.0 t90 -150.34 111.77 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB2' ' HD2' ' A' ' 61' ' ' TYR . . . -113.14 158.9 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.452 ' O ' HD12 ' A' ' 98' ' ' LEU . 67.8 t-105 -151.17 119.06 6.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -78.41 131.33 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.462 HD21 HD22 ' A' ' 62' ' ' LEU . 4.6 mp -118.07 8.31 12.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.1 m -50.59 -43.31 56.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.44 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 34.2 mtmt -82.09 126.26 31.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.43 -55.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 m -42.46 -45.01 4.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 100' ' ' LYS . 74.8 m-20 -60.94 -56.31 22.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 103' ' ' ASN . 13.0 mtp180 -34.34 -62.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.62 -50.22 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -40.17 -67.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 62' ' ' LEU . 20.2 t80 -52.2 -51.79 56.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -43.06 -57.59 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 98.6 m -52.16 -47.68 65.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 18.1 mtm -56.87 -48.33 78.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.0 t -63.27 -45.31 92.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -49.49 -37.21 25.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -89.27 -66.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -40.98 -63.36 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 137' ' ' ILE . 17.1 m-85 -92.51 -66.21 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.4 155.59 8.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.9 t -61.11 -47.63 85.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.3 t -47.45 -52.28 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.6 -60.6 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB2' ' SG ' ' A' ' 111' ' ' CYS . . . -41.22 -57.42 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.494 ' O ' HG22 ' A' ' 125' ' ' THR . 14.0 tm0? -47.13 -46.2 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.8 m -45.81 -29.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.693 HD13 HD11 ' A' ' 62' ' ' LEU . 81.0 mt -87.72 -39.66 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -62.47 -42.04 99.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 121' ' ' GLN . 5.6 t -68.13 -29.73 68.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -58.95 151.51 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -77.07 176.64 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 129' ' ' ASP . 84.8 m -76.44 -62.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 128' ' ' THR . 2.4 p-10 -37.32 -49.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.407 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 51.0 mm-40 -38.42 -45.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.505 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 12.0 m-85 -52.06 158.75 1.67 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.508 ' HD3' HG23 ' A' ' 70' ' ' THR . 54.2 Cg_endo -69.79 -178.46 16.82 Favored 'Cis proline' 0 C--O 1.232 0.216 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.375 0.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.414 ' CD1' HG23 ' A' ' 123' ' ' ILE . 36.1 mt -132.7 120.26 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.537 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -112.89 112.68 24.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 135' ' ' LEU . 3.3 mp -109.17 162.84 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 43.9 mt -129.91 108.89 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.722 HD13 HG12 ' A' ' 60' ' ' ILE . 3.3 mp -96.02 126.25 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.488 ' HE2' ' HA ' ' A' ' 170' ' ' PHE . 4.0 tmm? . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -163.48 157.1 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.49 122.17 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.9 mp -85.91 -56.39 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -111.43 146.24 37.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 94.8 t -131.56 113.81 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 47.1 mt -102.36 138.73 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 132' ' ' PRO . 36.5 mt-30 -74.96 -56.84 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 149.93 -21.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -81.52 13.22 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 11.6 t -74.36 172.96 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 42.4 p -105.51 139.12 40.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.8 p -40.91 -34.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.49 -47.19 76.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -49.23 -43.84 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.486 HD11 ' SD ' ' A' ' 77' ' ' MET . 77.3 mt -47.27 -58.86 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 42.5 tpp -43.89 -48.14 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 17.8 mtt -63.93 -44.01 94.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -56.75 -41.18 77.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.83 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 59.0 mtp -46.07 -47.27 17.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.17 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.0 75.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 14.6 mtp -70.45 -58.44 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 6.9 pt-20 -50.28 -34.53 23.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 59.8 mt -74.69 -49.65 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.488 ' HA ' ' HE2' ' A' ' 138' ' ' MET . 88.5 t80 -41.6 -63.57 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.35 -62.12 6.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.76 -44.38 77.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.62 -45.9 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' PHE . 49.1 mt -67.85 -58.71 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.639 ' HG ' HD12 ' A' ' 37' ' ' ILE . 5.5 mt -34.31 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -64.48 -43.98 92.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.6 t80 -63.13 -43.72 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.9 p -67.27 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.12 -45.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -77.79 -42.92 32.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 28' ' ' TYR . 83.2 t80 -37.76 -39.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' GLY . 2.3 p -72.99 -61.34 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -42.09 -34.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 17.4 ptp180 -83.89 -49.47 8.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.486 ' CD2' ' CE1' ' A' ' 24' ' ' PHE . 31.4 m-85 -95.66 -67.68 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 172.47 152.68 8.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -51.86 -45.1 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.64 111.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -167.05 152.67 7.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.535 0.683 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 131.09 20.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -53.97 107.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -82.88 125.83 31.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -58.94 108.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.639 HD12 ' HG ' ' A' ' 18' ' ' LEU . 26.8 mm -73.36 103.17 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.98 -167.39 35.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 t -91.66 145.24 24.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.674 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 10.8 tp -45.79 -41.2 10.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -41.31 -50.84 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -68.01 -53.79 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.41 -24.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CE2' ' HG ' ' A' ' 40' ' ' LEU . 51.9 m-85 -74.34 -55.83 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.41 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 4.6 pt20 -63.81 -42.64 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HA ' HG13 ' A' ' 50' ' ' VAL . 7.3 tt0 -62.91 -6.36 3.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.512 ' O ' ' CG2' ' A' ' 50' ' ' VAL . . . -97.93 -60.99 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 56' ' ' LYS . 32.8 m-85 -96.85 -65.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' VAL . 30.4 m-85 -35.76 -38.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -32.15 -73.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HG2' ' C ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -156.47 132.8 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.445 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . . . -49.81 -15.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -97.87 -48.09 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -84.49 16.71 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 52' ' ' ALA . 36.2 mtt180 -55.79 102.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.548 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 65.7 mttm -94.08 179.02 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 138' ' ' MET . 69.8 mt -111.02 151.35 28.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.537 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 19.4 tp -104.84 140.43 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.678 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -140.43 109.15 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mp -76.37 131.68 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CE1' ' CE1' ' A' ' 73' ' ' PHE . 39.3 t80 -118.88 103.41 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD22 HD11 ' A' ' 98' ' ' LEU . 52.2 mt -79.63 117.58 20.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -97.81 116.61 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.588 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 12.8 t-80 -117.54 103.27 9.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.9 t0 -54.21 -59.39 4.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.53 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 27.3 mm-40 -34.01 -45.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.1 t -58.43 149.4 25.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.62 -22.3 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 12.7 mt -71.41 -21.18 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.428 HG23 ' HD3' ' A' ' 132' ' ' PRO . 0.7 OUTLIER -62.36 -50.29 72.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -43.11 -63.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 73' ' ' PHE . 19.2 m -70.11 -45.26 76.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 1.9 t80 -45.07 -52.03 9.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.529 ' CB ' HD12 ' A' ' 78' ' ' LEU . 28.2 p -78.0 -36.04 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.439 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 26.9 t -71.57 -15.69 62.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' VAL . 57.0 mm-40 -110.68 -37.91 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.694 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 29.6 mtt -91.72 -55.14 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.529 HD12 ' CB ' ' A' ' 74' ' ' CYS . 96.1 mt -76.94 16.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.3 m -112.27 -22.34 10.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.501 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -69.37 129.14 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 82' ' ' SER . 14.4 pt-20 -65.72 -45.28 83.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 71.9 m -64.72 -41.21 96.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.633 HD13 ' CE ' ' A' ' 160' ' ' MET . 26.4 mm -62.44 -51.09 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -65.89 -35.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -68.77 -46.99 67.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 4.2 t80 -72.23 -52.2 17.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.46 -31.37 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.5 p -85.82 -41.98 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.504 ' O ' ' CE ' ' A' ' 56' ' ' LYS . 13.3 mm-40 -75.42 -61.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.541 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 2.0 m-80 -66.61 -43.49 84.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 3.0 m-85 -114.1 171.69 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -101.12 114.94 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.2 m -73.75 125.83 28.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.674 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 32.0 t90 -151.69 103.61 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.44 150.83 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -142.76 136.7 29.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.89 125.47 41.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 62' ' ' LEU . 4.3 mp -115.27 3.29 14.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.9 m -42.82 -44.28 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -91.6 143.69 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -52.1 -58.91 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.3 m -37.29 -47.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -74.71 -47.44 31.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -53.24 -64.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.49 -47.61 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.4 mtp85 -48.76 -55.48 11.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -54.09 -46.23 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.09 -34.59 77.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.7 m -71.92 -49.48 37.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.2 ptm -70.99 -30.09 66.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 6.4 t -76.56 -45.46 30.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -49.45 -34.06 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' HIS . 57.3 mtt180 -94.73 -68.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' ARG . 12.2 m170 -37.85 -61.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -89.64 -60.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.49 164.91 14.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 97.2 p -70.39 -45.38 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.824 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.64 -44.8 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.36 -53.69 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 111' ' ' CYS . . . -57.93 -50.76 72.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -52.15 -45.84 65.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 88.8 m -53.03 -43.15 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 133' ' ' LEU . 94.1 mt -68.97 -36.88 76.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.65 96.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.9 p -66.43 -38.2 86.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -52.33 130.22 30.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -56.34 173.74 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 95.2 m -69.72 -60.47 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.3 OUTLIER -40.12 -47.67 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 129' ' ' ASP . 24.2 mm-40 -33.81 -48.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 64' ' ' HIS . 17.2 m-85 -52.12 158.52 1.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.6 ' HG2' ' CE2' ' A' ' 73' ' ' PHE . 53.8 Cg_endo -69.71 167.69 70.0 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.366 0.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.598 ' CD1' HG23 ' A' ' 123' ' ' ILE . 12.8 mt -119.81 102.28 8.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.678 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 6.5 t80 -95.47 120.13 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.21 167.53 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.408 ' C ' HD12 ' A' ' 137' ' ' ILE . 68.3 mt -133.93 139.99 47.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 136' ' ' ILE . 4.7 mp -140.02 134.02 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.681 ' HA ' HD22 ' A' ' 57' ' ' LEU . 13.9 ptt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.405 ' CG ' HG21 ' A' ' 137' ' ' ILE . 28.9 t-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -145.13 147.92 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 74.6 t -80.39 117.07 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.542 HD21 ' SD ' ' A' ' 138' ' ' MET . 10.7 mp -78.09 -59.91 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -126.08 154.81 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 98.5 t -127.95 115.44 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 154' ' ' THR . 18.2 mt -100.94 117.91 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.62 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 158.77 -19.17 0.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -80.24 6.83 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.477 ' HB ' ' CG2' ' A' ' 150' ' ' ILE . 3.1 t -61.14 176.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 10.8 p -118.78 151.97 37.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 157' ' ' ASP . 10.6 p -48.04 -45.4 12.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.529 ' N ' HG13 ' A' ' 156' ' ' VAL . 24.0 m-20 -59.12 -45.76 90.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -51.11 -50.64 58.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 77' ' ' MET . 84.5 mt -39.63 -61.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.633 ' CE ' HD13 ' A' ' 83' ' ' ILE . 32.2 tpp -47.18 -48.19 23.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.2 mtt -59.63 -49.88 76.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -56.72 -46.32 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.82 -56.41 13.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 5.6 mmt -46.0 -59.49 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -48.3 -45.21 34.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . 0.622 ' HB1' HD13 ' A' ' 57' ' ' LEU . . . -54.4 -35.96 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 76.3 mmm -69.44 -62.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 9.0 pt-20 -50.69 -41.73 56.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.481 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 54.7 mt -66.95 -46.29 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -45.39 -66.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.927 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.473 ' OE2' ' CH2' ' A' ' 96' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.844 0.355 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.75 -57.87 2.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' HA ' HD12 ' A' ' 18' ' ' LEU . 3.5 m-20 -49.43 -55.07 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.87 -53.65 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 17' ' ' LEU . 17.4 mt -59.21 -51.47 69.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.783 ' HG ' HD12 ' A' ' 37' ' ' ILE . 6.2 mt -38.13 -51.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.44 -64.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' HE2' ' CE2' ' A' ' 35' ' ' PHE . 3.7 t80 -45.3 -35.46 3.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -68.03 -67.19 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.97 -41.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' PHE . 68.5 mm-40 -75.97 -61.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' GLU . 53.1 t80 -36.31 -51.96 0.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.425 ' HB2' ' NE2' ' A' ' 32' ' ' HIS . 10.7 t -70.37 -53.14 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -56.55 -18.14 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -97.96 -63.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 27' ' ' ARG . 50.1 m-85 -66.4 -67.78 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.66 -168.67 41.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -103.03 -11.47 18.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.9 m -80.37 17.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 25' ' ' SER . 0.5 OUTLIER -95.36 158.5 34.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 110.9 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.506 ' HG3' ' CD2' ' A' ' 78' ' ' LEU . 53.6 Cg_endo -69.75 104.02 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.3 t -52.74 105.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.536 ' HA ' HG22 ' A' ' 93' ' ' THR . 25.2 m-85 -63.99 154.8 33.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -91.14 120.38 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.783 HD12 ' HG ' ' A' ' 18' ' ' LEU . 32.2 mm -68.43 112.32 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.77 -172.89 32.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 p -92.09 168.56 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.084 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 20.4 tp -69.9 -48.88 56.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -48.99 -36.49 17.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -74.05 -55.04 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -33.6 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 99.5 m-85 -60.77 -54.73 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' ALA . 10.7 pt20 -60.59 -23.92 65.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -78.95 -9.23 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.59 -36.93 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -97.81 -57.85 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -77.99 11.39 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -79.0 161.55 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -52.18 140.38 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.38 -36.34 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -78.28 -40.67 36.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.51 15.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 16.8 mtt180 -52.88 134.14 37.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -155.62 177.39 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.634 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 21.1 mt -112.06 168.52 9.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 37.5 tp -106.95 131.87 53.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.18 107.38 7.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 137' ' ' ILE . 41.5 mt -90.72 136.57 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 134' ' ' PHE . 10.7 t80 -128.58 123.1 32.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.927 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 88.9 mt -91.2 123.22 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -107.5 119.47 39.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 14.1 t-80 -127.33 117.01 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' GLU . 84.3 m-20 -62.2 -58.69 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 49.4 mt-10 -37.64 -42.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -52.74 146.53 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 69' ' ' LEU . 35.3 m -89.13 -41.35 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' N ' HG23 ' A' ' 68' ' ' VAL . 23.1 mt -61.03 -47.44 86.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.458 ' CA ' ' HD3' ' A' ' 132' ' ' PRO . 22.7 m -46.32 -41.89 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -49.78 -60.26 3.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG23 ' N ' ' A' ' 73' ' ' PHE . 29.8 m -71.25 -50.01 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' N ' HG23 ' A' ' 72' ' ' VAL . 12.1 t80 -53.98 -15.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.455 ' HA ' HD12 ' A' ' 78' ' ' LEU . 3.0 m -79.8 -53.35 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.434 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 18.7 m -92.54 -8.08 45.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.813 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 51.5 mm-40 -98.37 -55.91 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -89.96 -70.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.506 ' CD2' ' HG3' ' A' ' 33' ' ' PRO . 11.3 mt -40.61 -23.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -81.64 17.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.659 ' CB ' HD12 ' A' ' 83' ' ' ILE . . . -82.15 102.01 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HA ' HG22 ' A' ' 84' ' ' VAL . 4.4 mp0 -58.72 -59.13 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -48.56 -33.51 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.659 HD12 ' CB ' ' A' ' 80' ' ' ALA . 69.0 mt -79.03 -71.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 80' ' ' ALA . 32.8 m -36.58 -32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 83' ' ' ILE . 37.9 m -70.57 -50.54 36.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.505 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 10.2 t80 -72.02 -48.51 44.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 91' ' ' PHE . 8.2 tp -57.69 -34.62 69.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.3 p -83.23 -41.97 17.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -74.06 -61.63 1.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.505 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 15.2 m-80 -68.18 -54.58 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.634 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -98.92 174.53 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.3 mm -100.05 127.9 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 35' ' ' PHE . 37.2 m -86.33 124.09 32.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.084 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 12.5 t90 -152.58 113.3 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.433 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -112.04 171.0 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.062 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.473 ' CH2' ' OE2' ' A' ' 13' ' ' GLU . 71.7 t-105 -157.69 123.36 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -86.11 123.42 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 104' ' ' ARG . 5.4 mp -113.01 10.3 18.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.2 m -50.19 -46.13 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -83.65 126.27 32.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -39.49 -42.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -53.41 -55.67 23.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -63.12 -45.5 91.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.678 ' HA ' HD23 ' A' ' 98' ' ' LEU . 8.7 tpt180 -39.1 -49.03 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -67.07 -49.02 66.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 105' ' ' ALA . 47.9 mmt-85 -34.6 -59.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.927 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 33.2 t80 -51.47 -45.4 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' ALA . 72.2 mt -62.41 -47.05 85.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.5 m -57.75 -56.2 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.437 ' O ' ' CD2' ' A' ' 114' ' ' HIS . 22.4 ptp -60.89 -40.03 91.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.8 m -66.52 -38.89 88.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 112' ' ' ASN . 0.5 OUTLIER -48.25 -37.22 15.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 113' ' ' ARG . 1.7 mmp_? -95.49 -53.22 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.496 ' CD2' HD23 ' A' ' 40' ' ' LEU . 52.8 m-70 -40.39 -68.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CE1' HG12 ' A' ' 137' ' ' ILE . 16.9 m-85 -95.96 -45.57 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 142.06 165.48 10.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.1 m -62.42 -49.34 75.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.8 m -48.63 -36.37 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.6 t -73.59 -55.99 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.08 -47.51 22.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -57.74 -43.75 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 33.0 m -43.93 -43.56 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 86.6 mt -77.05 -42.1 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -48.43 -39.6 23.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 73.4 p -68.01 -38.77 82.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.435 ' OE1' ' NE2' ' A' ' 130' ' ' GLN . 31.2 mm-40 -54.48 124.0 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -63.75 175.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -63.18 -54.24 40.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' GLN . 6.6 m-20 -43.88 -47.29 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.435 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 17.8 mm-40 -36.12 -47.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.529 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 64.4 m-85 -53.68 155.64 5.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.8 Cg_endo -69.67 -176.18 12.08 Favored 'Cis proline' 0 C--O 1.233 0.229 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.368 -0.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.2 mt -144.32 106.81 4.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 61' ' ' TYR . 3.4 t80 -101.71 115.53 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 135' ' ' LEU . 3.9 mp -115.15 158.56 22.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.6 mt -131.4 113.52 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.542 HG12 ' CE1' ' A' ' 115' ' ' PHE . 5.1 mp -105.78 104.34 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.582 ' H ' HD13 ' A' ' 147' ' ' LEU . 27.8 ttp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.2 p30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.784 0.326 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -167.77 163.68 14.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.2 t -80.23 115.43 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.582 HD13 ' H ' ' A' ' 138' ' ' MET . 6.9 mp -89.24 -59.66 2.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -109.73 146.78 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.07 102.44 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.576 HD13 HD23 ' A' ' 159' ' ' LEU . 50.6 mt -98.35 138.4 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.434 HE22 ' NE2' ' A' ' 130' ' ' GLN . 11.8 mm-40 -92.53 -37.97 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 134.27 -29.6 3.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 0.9 OUTLIER -67.75 -2.88 7.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.1 t -65.13 165.41 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 156' ' ' VAL . 30.9 p -93.73 141.84 28.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.436 HG22 ' SD ' ' A' ' 77' ' ' MET . 88.7 t -36.86 -45.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 158' ' ' GLU . 3.5 t0 -61.75 -59.05 5.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 157' ' ' ASP . 7.3 mt-10 -38.04 -47.89 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.576 HD23 HD13 ' A' ' 150' ' ' ILE . 25.9 mt -45.65 -58.15 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 16.9 ttm -51.17 -54.59 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 162' ' ' ARG . 7.5 mtt -43.09 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 161' ' ' MET . 10.9 mmp_? -36.41 -56.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.87 -55.76 30.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 35.2 mtp -48.29 -38.96 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.5 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.42 -46.02 67.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -54.89 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 7.7 pt-20 -51.2 -33.24 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 84.6 mt -79.02 -37.76 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -55.61 -59.45 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.555 ' OE1' ' CH2' ' A' ' 96' ' ' TRP . 0.7 OUTLIER . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.49 -64.39 3.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -43.1 -45.94 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.02 11.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.4 mt -49.3 -53.17 23.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mt -39.4 -48.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.7 -54.78 41.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -53.33 -48.28 68.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.1 m -53.89 -50.94 65.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 24' ' ' PHE . 8.1 pt-20 -52.54 -37.35 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.459 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 28.5 t80 -57.37 -39.04 75.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.7 t -45.09 -44.93 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.3 t -91.41 -40.34 11.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.547 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -39.08 -59.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE2' ' HD2' ' A' ' 27' ' ' ARG . 62.1 m-85 -116.67 -37.92 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.5 173.21 20.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 m-20 -69.28 -37.32 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.311 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.7 m -52.04 103.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.453 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 2.5 p80 -168.24 152.01 5.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.46 ' HD3' HG11 ' A' ' 84' ' ' VAL . 54.1 Cg_endo -69.76 136.37 32.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -52.04 102.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -75.72 129.21 36.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 5.8 t80 -71.85 127.79 33.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.6 mm -89.65 105.93 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.02 -171.64 33.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 40' ' ' LEU . 78.0 p -92.94 142.18 27.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.953 0.406 . . . . 0.0 110.857 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.628 HD11 HD21 ' A' ' 58' ' ' LEU . 13.5 tp -34.4 -41.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 17.2 mt-10 -36.73 -51.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . -62.53 -56.1 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.091 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.64 -37.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -61.99 -60.76 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.59 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 5.3 pt20 -53.74 -46.65 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' HG11 ' A' ' 50' ' ' VAL . 17.2 tt0 -68.92 1.67 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.03 -32.2 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -117.97 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 45' ' ' GLN . 3.0 m-85 -79.81 18.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 54' ' ' ASP . 34.4 m -93.52 171.87 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -53.61 140.44 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.34 -35.05 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -83.69 -33.46 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 50' ' ' VAL . 9.3 t0 -82.05 17.95 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -57.55 122.7 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -137.56 168.91 18.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 56.9 mt -114.35 162.42 16.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.628 HD21 HD11 ' A' ' 40' ' ' LEU . 56.8 tp -104.41 140.11 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.61 105.13 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.25 134.57 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 78' ' ' LEU . 7.4 t80 -127.08 108.1 10.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB3' HD13 ' A' ' 98' ' ' LEU . 24.0 mt -80.36 118.94 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -100.75 110.39 22.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 13.4 t-80 -117.03 115.01 24.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' GLU . 1.3 m-20 -58.68 -60.19 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' ASP . 15.2 mt-10 -33.85 -44.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.2 t -52.25 159.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 m -106.0 -31.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.91 -24.43 65.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.8 m -68.82 -38.41 79.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -50.53 -45.8 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLN . 30.4 m -90.28 -39.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 17.0 t80 -64.25 -12.46 41.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 15.6 p -94.3 -37.16 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.434 ' C ' ' HB2' ' A' ' 79' ' ' CYS . 47.2 p -97.9 -11.51 23.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 18.5 mm-40 -102.6 -55.61 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.654 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -81.58 -67.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.474 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 14.1 mt -49.8 -56.78 9.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.434 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.2 m -55.35 -28.25 52.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 77' ' ' MET . . . -52.03 109.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.454 ' HA ' HG22 ' A' ' 84' ' ' VAL . 42.2 mm-40 -60.86 -50.39 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -47.81 -41.49 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.66 -70.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 34.8 m -40.3 -38.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 t -56.25 -44.51 79.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.433 ' CE1' ' CB ' ' A' ' 90' ' ' ASN . 8.7 t80 -83.19 -44.58 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' PHE . 12.4 tp -59.44 -33.63 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 p -83.01 -43.53 16.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -70.74 -59.86 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.433 ' CB ' ' CE1' ' A' ' 86' ' ' TYR . 2.9 m-80 -69.84 -51.44 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 56.0 m-85 -105.44 178.18 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 37.0 mm -105.84 128.67 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.3 m -79.89 122.1 26.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.619 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 14.1 t90 -151.75 102.03 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.64 154.1 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.555 ' CH2' ' OE1' ' A' ' 13' ' ' GLU . 77.2 t-105 -141.19 134.52 29.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -91.54 125.43 36.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 62' ' ' LEU . 5.0 mp -117.93 13.61 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.8 m -56.51 -40.66 75.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 100' ' ' LYS . 1.8 mppt? -77.66 145.0 36.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -57.16 -48.08 79.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -62.44 -47.7 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.424 ' ND2' ' HE2' ' A' ' 100' ' ' LYS . 10.1 m-20 -55.73 -59.77 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.3 ttt-85 -38.19 -60.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -59.82 -43.07 94.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -40.93 -53.69 2.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' A' ' 62' ' ' LEU . 28.3 t80 -68.62 -48.62 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 105' ' ' ALA . 16.2 mt -38.84 -58.73 1.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.7 m -51.45 -54.31 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 13.7 mtm -49.25 -51.53 32.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.2 t -45.05 -44.1 9.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.412 ' HA ' ' C ' ' A' ' 116' ' ' GLY . 60.1 t-20 -72.76 -58.75 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.4 ttt-85 -45.74 -38.49 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -86.28 -66.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -79.42 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.412 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 150.72 170.61 18.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 118' ' ' VAL . 1.3 t -59.42 -56.7 18.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.966 0.413 . . . . 0.0 110.858 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 117' ' ' SER . 5.8 p -36.78 -37.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.8 t -77.91 -53.09 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.16 -49.47 66.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -48.31 -45.73 35.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.2 m -48.1 -50.31 28.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.42 HD13 ' HE2' ' A' ' 107' ' ' PHE . 82.8 mt -67.72 -47.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -50.72 -43.51 57.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.1 p -69.13 -36.09 77.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -56.67 126.33 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -66.62 174.45 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 90.2 m -65.09 -52.92 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 130' ' ' GLN . 1.1 m-20 -48.14 -47.12 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' ASP . 76.9 mm-40 -36.62 -43.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 64' ' ' HIS . 15.4 m-85 -53.37 156.99 3.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.673 0.749 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.3 Cg_endo -69.77 178.55 25.07 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.3 0.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.1 mt -131.71 105.33 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -101.27 115.47 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 mp -115.06 151.11 34.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.5 mt -114.17 112.25 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 50.9 mm -93.32 119.48 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.449 ' HB3' HD22 ' A' ' 147' ' ' LEU . 4.2 ttp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -148.17 148.35 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 83.4 t -64.95 114.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 138' ' ' MET . 9.8 mp -86.34 -61.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.32 135.13 55.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 85.5 t -114.97 118.86 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.444 HD11 ' HD2' ' A' ' 162' ' ' ARG . 57.7 mt -115.38 132.32 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -99.8 178.43 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -81.69 29.25 3.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -116.0 15.43 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.8 t -106.69 171.08 7.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 33.6 p -90.16 132.47 35.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.5 ' HA ' HD12 ' A' ' 159' ' ' LEU . 14.8 p -38.15 -37.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -52.62 57.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.25 -35.84 3.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 156' ' ' VAL . 59.3 mt -58.34 -39.55 79.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.53 -57.42 13.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 7.1 ptp -61.1 -36.62 80.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 161' ' ' MET . 57.5 mmt-85 -63.81 -46.75 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 67.2 mt -59.58 -55.07 39.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 45.4 mtt -48.98 -44.52 41.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 168' ' ' GLU . . . -48.59 -61.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -46.91 -33.81 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 21.9 mtp -73.73 -67.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 11.2 pt-20 -42.3 -37.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 69.7 mt -62.78 -41.29 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -67.87 -41.17 83.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 -179.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.58 ' OE2' ' CH2' ' A' ' 96' ' ' TRP . 6.0 mm-40 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.926 0.393 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -38.47 -65.72 0.7 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' GLY . 18.1 t70 -35.38 -54.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.75 73.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' GLY . 91.7 mt -64.22 -52.22 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -42.72 -49.88 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -53.55 -45.84 70.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -67.55 -62.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p -39.52 -46.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 -60.07 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.61 -46.32 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 2.8 t80 -63.15 -50.62 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.5 t -47.83 -41.06 22.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 t -80.49 -60.23 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -45.52 -57.52 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.448 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 33.4 m-85 -81.46 -61.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 157.01 -178.44 33.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.23 -42.84 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.3 m -53.01 103.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -168.01 153.82 6.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' CD ' HD22 ' A' ' 78' ' ' LEU . 53.4 Cg_endo -69.82 142.46 47.76 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.272 . . . . 0.0 112.353 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.32 117.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -96.87 116.47 29.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB1' ' A' ' 42' ' ' ALA . 4.3 t80 -58.16 106.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.9 mm -79.02 110.64 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.4 -135.38 4.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.0 p -107.24 157.91 17.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.871 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 62.8 tp -59.98 -41.17 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -54.86 -40.67 69.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.577 ' HB1' ' CZ ' ' A' ' 36' ' ' PHE . . . -52.03 -50.32 61.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.48 -55.81 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 95.9 m-85 -51.27 -43.22 61.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 32.0 mt-30 -61.89 -49.09 77.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 19.1 tt0 -70.12 5.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.96 -34.1 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -118.0 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 19.7 m-85 -78.64 17.94 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 46' ' ' GLU . 35.9 m -105.25 168.28 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -52.33 146.91 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.469 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . . . -54.58 -43.96 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -68.44 -43.46 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.67 17.89 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 41.2 mtp85 -61.06 146.38 47.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 55' ' ' ARG . 77.9 mttt -151.69 177.97 9.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.832 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 55.8 mt -111.97 165.31 12.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 24.8 tp -104.54 137.99 41.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -136.21 106.23 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.123 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.6 HD11 ' HZ ' ' A' ' 115' ' ' PHE . 26.4 mt -78.61 128.88 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 53.2 t80 -108.8 115.2 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 133' ' ' LEU . 87.7 mt -93.36 102.34 14.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.406 ' CE1' ' OH ' ' A' ' 28' ' ' TYR . 77.8 t60 -88.81 134.26 33.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 9.4 t-80 -142.69 102.05 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' GLU . 9.1 t70 -58.23 -51.26 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.495 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 10.2 mt-10 -37.32 -41.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.2 t -67.48 147.52 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.1 m -86.66 -32.45 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 16.8 mt -61.28 -29.44 69.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.45 HG22 ' SG ' ' A' ' 74' ' ' CYS . 28.1 m -67.59 -36.47 80.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -52.57 -50.15 63.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' GLN . 16.8 m -86.67 -38.14 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 18.4 t80 -61.2 -11.72 10.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 33.8 m -93.14 -38.04 11.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.438 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 15.2 m -101.43 -4.08 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' VAL . 72.8 mm-40 -109.62 -43.06 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.585 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -96.77 -48.31 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 17.3 mt -76.49 18.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.3 m -112.09 -27.56 8.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.821 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -56.03 102.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 85' ' ' SER . 12.5 pt-20 -50.25 -36.93 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.8 p -67.38 -43.45 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 92.7 mt -74.58 -60.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 80' ' ' ALA . 29.8 m -50.31 -35.18 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 12.7 t -81.7 -63.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 3.7 t80 -46.62 -41.84 15.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' PHE . 4.0 tp -68.08 -42.9 79.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.4 m -65.74 -35.63 81.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -80.96 -60.61 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -64.87 -39.88 94.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.832 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 5.7 m-85 -118.7 173.48 6.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.7 mm -108.77 106.26 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.9 m -77.45 121.55 23.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.871 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 50.4 t90 -150.66 131.77 14.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.25 161.7 19.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CH2' ' OE2' ' A' ' 13' ' ' GLU . 25.4 t-105 -112.88 -7.27 13.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.6 t70 52.32 47.93 23.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.495 HD22 HD22 ' A' ' 62' ' ' LEU . 1.7 pt? -77.01 13.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.3 m -43.43 -38.73 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -80.43 152.13 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 102' ' ' SER . 4.6 p30 -57.71 -53.97 52.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' ASP . 51.1 m -37.51 -59.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 76.0 m-20 -57.63 -49.39 76.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 103' ' ' ASN . 6.9 tmm_? -34.89 -46.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.97 -49.22 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 53.3 mtt-85 -51.85 -53.46 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -52.12 -38.87 58.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.406 HD22 ' HB1' ' A' ' 120' ' ' ALA . 20.9 mt -67.28 -46.67 72.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -64.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 11.6 ptp -46.82 -35.32 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 110' ' ' MET . 6.2 m -68.31 -45.44 72.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -45.79 -36.15 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -84.19 -52.36 6.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -60.41 -65.14 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.668 ' HB2' HG11 ' A' ' 119' ' ' VAL . 33.7 m-85 -90.61 -68.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.437 ' O ' HG12 ' A' ' 119' ' ' VAL . . . 159.54 -176.19 36.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' ALA . 30.6 t -78.11 -47.47 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.376 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.3 t -42.69 -51.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.668 HG11 ' HB2' ' A' ' 115' ' ' PHE . 11.2 p -60.85 -29.63 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 117' ' ' SER . . . -72.68 -52.61 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -59.76 -45.03 93.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.1 m -51.41 -44.14 62.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.59 -51.39 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -44.41 -39.35 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 78.5 p -70.44 -36.11 73.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.44 ' OE1' HD21 ' A' ' 133' ' ' LEU . 33.8 mt-30 -55.54 127.61 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 3.4 mptp? -58.06 175.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 52.9 m -75.51 -59.57 2.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.8 -42.15 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 130' ' ' GLN . 1.0 OUTLIER -37.84 -42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.525 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 25.3 m-85 -52.04 156.63 2.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.5 Cg_endo -69.74 156.26 92.81 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.352 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.627 ' HB2' HD12 ' A' ' 62' ' ' LEU . 21.0 mt -106.78 102.0 11.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.542 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 2.7 t80 -94.99 118.99 32.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 135' ' ' LEU . 5.0 mp -118.38 148.92 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 26.2 mt -112.08 109.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 40.0 mm -94.48 138.58 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 . . . . . 0 N--CA 1.458 -0.042 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -146.2 173.02 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.06 123.82 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.9 mt -95.88 -61.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -116.38 141.69 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.11 111.65 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.6 mt -100.0 121.34 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 130' ' ' GLN . 65.4 mt-30 -60.67 -56.16 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 145.6 -25.03 1.82 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -80.44 15.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.0 t -77.7 166.44 22.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 47.6 p -86.08 135.24 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 157' ' ' ASP . 7.7 p -41.44 -42.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.436 ' N ' HG13 ' A' ' 156' ' ' VAL . 1.8 m-20 -60.28 -48.21 82.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -49.92 -43.57 49.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.53 -50.52 65.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 2.7 tpt -51.61 -44.56 62.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.7 mmt -68.89 -53.62 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -41.95 -51.7 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 70.5 mt -59.69 -61.33 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 56.4 mmm -42.67 -44.88 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.56 56.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -45.63 -42.19 11.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 2.7 mtp -61.39 -44.16 97.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -54.58 -53.71 50.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.06 -41.1 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -63.45 -61.86 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.895 0.378 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -57.24 111.83 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.21 164.44 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -113.31 153.68 28.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -52.42 120.87 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 14' ' ' GLY . 21.5 mt-10 -86.77 -57.93 2.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -35.13 -70.56 0.18 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -49.41 -52.12 30.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.76 0.314 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.9 -44.63 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.94 -44.8 75.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.1 mt -46.91 -61.4 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -42.82 -43.16 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -67.86 -55.93 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.5 p -51.9 -37.91 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.195 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.85 -49.08 71.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -66.41 -55.54 15.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 9.2 t80 -47.98 -37.27 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -53.55 -57.32 11.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.796 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.5 m -72.9 -50.86 21.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -39.77 -61.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -87.59 -61.82 1.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.81 174.86 35.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -63.99 -45.38 89.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.33 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.4 m -58.01 110.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -167.08 152.84 7.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.45 ' HG3' HD22 ' A' ' 78' ' ' LEU . 53.8 Cg_endo -69.81 130.28 19.02 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.7 t -52.3 111.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -87.1 122.7 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -63.98 123.38 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.5 mm -95.18 114.59 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.62 -153.28 24.3 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -98.93 136.86 38.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.672 HD13 ' CH2' ' A' ' 94' ' ' TRP . 26.6 tp -43.43 -39.0 3.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -48.06 -45.04 31.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.61 90.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.99 -20.66 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -91.19 -56.05 3.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' HA ' ' CD2' ' A' ' 49' ' ' TYR . 4.6 pp0? -56.75 -41.92 78.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 5.5 tp10 -69.41 -7.28 36.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.37 -51.52 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' CE2' ' HA3' ' A' ' 139' ' ' GLY . 9.8 m-85 -97.98 -52.03 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 23.4 m-85 -72.93 7.28 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 51' ' ' LYS . 1.5 p -75.55 172.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.584 ' H ' HG22 ' A' ' 50' ' ' VAL . 5.3 mtmp? -52.55 129.2 28.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.13 -22.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' LYS . 20.3 tpt180 -90.85 -40.67 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.475 ' O ' HG11 ' A' ' 50' ' ' VAL . 2.7 m-20 -85.42 17.73 3.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 11.9 mtp180 -54.75 132.26 45.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 90' ' ' ASN . 8.5 mtmp? -151.51 177.48 10.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD22 ' O ' ' A' ' 137' ' ' ILE . 46.6 mt -112.09 158.6 19.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 59' ' ' ALA . 6.1 tp -104.63 151.14 24.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.706 ' HB1' ' CZ ' ' A' ' 134' ' ' PHE . . . -141.91 105.12 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.2 mt -77.63 122.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.574 ' CE2' HD11 ' A' ' 78' ' ' LEU . 49.8 t80 -108.28 102.07 11.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.691 HD22 HD22 ' A' ' 98' ' ' LEU . 74.1 mt -78.73 123.9 27.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -106.22 113.07 26.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -121.63 115.7 23.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' GLU . 10.7 t70 -59.25 -54.74 43.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' ASP . 56.8 mt-10 -37.55 -40.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.0 t -61.05 139.54 58.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.1 m -83.58 -25.3 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' ASN . 13.2 mt -76.38 -48.17 20.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' LEU . 92.1 m -36.47 -30.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 69' ' ' LEU . 74.2 m-20 -72.54 -61.23 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.61 HG23 ' N ' ' A' ' 73' ' ' PHE . 19.8 m -67.87 -50.99 54.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.61 ' N ' HG23 ' A' ' 72' ' ' VAL . 9.6 t80 -43.94 -32.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 9.2 m -65.87 -53.61 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.435 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 83.4 p -88.76 -1.06 57.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' VAL . 41.6 mm-40 -97.97 -56.29 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 79' ' ' CYS . 8.2 mmt -98.03 -47.26 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 61' ' ' TYR . 39.5 mt -76.77 17.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.435 ' HB3' ' C ' ' A' ' 75' ' ' SER . 22.2 p -102.33 -27.75 12.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.481 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -63.98 148.74 48.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -85.35 -38.84 18.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.5 m -66.52 -38.86 88.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.7 mm -69.04 -49.07 65.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 85' ' ' SER . 35.8 m -66.68 -45.19 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.494 ' N ' HG23 ' A' ' 84' ' ' VAL . 19.5 m -63.24 -45.95 89.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 9.8 t80 -69.62 -50.3 45.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -56.4 -34.14 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 p -82.64 -45.29 14.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -71.24 -61.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.501 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 7.4 m-80 -66.76 -54.57 21.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -101.05 175.26 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.6 mm -103.0 106.83 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.18 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.403 HG21 ' HB2' ' A' ' 33' ' ' PRO . 92.1 m -75.1 121.58 22.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.672 ' CH2' HD13 ' A' ' 40' ' ' LEU . 34.0 t90 -143.43 127.21 17.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.72 149.85 36.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 77.4 t-105 -143.79 112.95 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.92 106.5 7.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.691 HD22 HD22 ' A' ' 62' ' ' LEU . 1.9 pt? -112.18 17.34 19.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.5 m -44.83 -68.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -63.63 146.3 54.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 102' ' ' SER . 5.6 p-10 -50.42 -51.57 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 101' ' ' ASP . 1.4 t -37.11 -53.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.418 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 34.9 m120 -71.18 -42.75 68.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -45.51 -60.18 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -56.83 -54.09 50.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 105' ' ' ALA . 58.1 mtt-85 -37.3 -62.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.416 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 63.5 t80 -48.79 -54.54 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.447 ' CD2' ' HB1' ' A' ' 120' ' ' ALA . 12.1 mt -48.71 -46.0 40.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 41.2 m -60.78 -45.87 92.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 25.8 mtm -61.24 -55.84 27.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.416 ' SG ' ' CZ ' ' A' ' 107' ' ' PHE . 1.8 m -58.31 -40.0 80.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -42.66 -42.55 3.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -94.44 -61.92 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -41.13 -54.01 2.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.428 ' HB3' HG21 ' A' ' 119' ' ' VAL . 2.1 m-85 -95.32 -60.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.52 179.01 31.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 85.8 p -80.45 -39.56 27.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.818 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 17.7 m -63.39 -21.98 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 115' ' ' PHE . 95.5 t -80.94 -58.46 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 108' ' ' LEU . . . -51.32 -54.92 21.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.063 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -43.1 -50.2 6.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.5 m -47.05 -52.5 14.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.8 mm -48.76 -40.54 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.3 ttp85 -59.33 -44.06 92.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.5 p -69.97 -41.73 74.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.479 ' OE1' ' NE2' ' A' ' 130' ' ' GLN . 15.8 mm-40 -52.31 114.86 1.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.4 176.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 21.2 m -82.82 -42.66 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.22 -46.41 72.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.479 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 14.0 mt-30 -39.36 -40.92 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.522 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 50.0 m-85 -52.11 156.62 2.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.62 0.724 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.6 Cg_endo -69.79 152.52 92.46 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.646 -1.814 . . . . 0.0 112.315 -0.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.82 103.02 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.706 ' CZ ' ' HB1' ' A' ' 59' ' ' ALA . 8.1 t80 -91.57 114.73 27.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.0 mp -112.41 154.0 26.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 67.7 mt -126.28 128.61 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 137' ' ' ILE . 3.6 mp -112.26 143.81 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.906 ' HB2' HD11 ' A' ' 147' ' ' LEU . 20.6 ttt -95.41 -38.98 10.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.486 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . 93.93 122.13 3.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 141' ' ' ARG . 27.9 tttp -142.72 127.94 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 140' ' ' LYS . 37.3 ttt85 -37.25 -45.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 m -61.0 -58.43 8.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.6 m -166.42 154.83 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -77.14 126.83 31.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -129.68 145.09 51.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 3.0 m -84.9 152.12 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.906 HD11 ' HB2' ' A' ' 138' ' ' MET . 46.9 mt -108.05 -37.47 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -137.97 143.17 40.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 97.0 t -131.84 103.8 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 25.7 mt -91.17 135.64 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.163 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -61.06 -66.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 159.32 -27.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.04 16.26 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.529 HG21 HD21 ' A' ' 159' ' ' LEU . 6.5 t -70.34 173.26 7.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 158' ' ' GLU . 61.4 p -101.48 129.8 47.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 155' ' ' THR . 1.0 OUTLIER -35.88 -35.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.83 -46.45 87.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 155' ' ' THR . 13.7 mt-10 -54.88 -38.75 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 154' ' ' THR . 37.7 mt -58.06 -42.29 85.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 160' ' ' MET . 0.0 OUTLIER -55.52 -57.9 9.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 20.0 ptt? -63.18 -42.7 99.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 161' ' ' MET . 14.5 mmt85 -56.81 -41.96 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 10.3 mt -73.76 -59.4 2.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 26.2 mtt -50.36 -45.27 55.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -57.16 -51.19 70.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -46.57 -32.41 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 7.5 mtp -71.08 -61.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 16.9 pt-20 -54.99 -36.56 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.442 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 74.7 mt -67.04 -49.39 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -50.41 -57.79 7.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 75.6 p -47.24 -41.99 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.84 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -61.1 -53.91 51.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.17 156.25 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -123.28 176.3 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 177' ' ' ASP . 4.9 pm0 -101.87 -35.34 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 176' ' ' GLU . 11.4 m-20 -66.74 -54.94 17.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -75.17 156.01 36.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.64 137.96 51.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -89.84 176.71 6.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.51 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 1.3 p30 -67.24 110.84 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -79.01 -47.81 15.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -41.71 -48.87 5.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.631 ' HA ' HD12 ' A' ' 18' ' ' LEU . 6.6 t70 -58.82 -50.95 72.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.818 0.342 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.62 -62.63 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 18' ' ' LEU . 79.3 mt -54.53 -52.8 60.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 15' ' ' ASP . 15.1 mt -32.98 -45.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -66.01 -51.48 57.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 15.8 t80 -56.67 -47.93 78.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.8 m -59.67 -51.58 69.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.13 -59.96 4.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.13 -43.99 82.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -50.32 -34.64 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' GLY . 43.2 m -54.21 -60.27 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.0 t -71.4 -33.3 69.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -41.46 -62.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CZ ' ' SG ' ' A' ' 74' ' ' CYS . 69.3 m-85 -112.18 -37.87 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 160.89 162.34 12.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 5.5 p-10 -57.76 -40.74 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.844 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -52.12 108.16 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 1.6 p80 -167.98 152.04 6.08 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.5 Cg_endo -69.78 124.64 11.27 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.1 p -52.11 108.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.514 ' CD2' HG22 ' A' ' 93' ' ' THR . 92.5 m-85 -81.61 145.45 30.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.2 t80 -85.06 114.86 22.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.5 mm -69.58 107.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.85 -153.36 24.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 t -119.51 153.81 34.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.862 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD11 HD21 ' A' ' 58' ' ' LEU . 13.4 tp -41.96 -40.58 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.35 -51.53 67.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.608 ' HB1' ' NE2' ' A' ' 45' ' ' GLN . . . -60.06 -57.48 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.1 -46.32 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -49.92 -41.2 45.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.608 ' NE2' ' HB1' ' A' ' 42' ' ' ALA . 2.5 pt20 -59.99 -24.68 64.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HA ' HG13 ' A' ' 50' ' ' VAL . 5.8 tp10 -108.74 9.42 26.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.99 -66.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.597 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 13.9 m-85 -113.57 -37.92 4.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.444 ' CD2' ' HA ' ' A' ' 45' ' ' GLN . 4.4 m-30 -44.09 -39.12 4.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.446 HG13 ' HA ' ' A' ' 46' ' ' GLU . 26.8 m -63.03 166.36 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.462 ' CD ' ' HG2' ' A' ' 53' ' ' ARG . 2.9 ptpt -52.0 179.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . . . -80.26 -34.14 37.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.462 ' HG2' ' CD ' ' A' ' 51' ' ' LYS . 1.5 ptt180 -59.17 -25.43 63.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 53' ' ' ARG . 32.8 p30 -117.77 16.38 14.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 12.7 mtp180 -61.14 138.18 58.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.418 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 75.9 mttt -148.32 176.95 9.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 138' ' ' MET . 6.3 mt -112.58 167.42 10.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.585 HD21 HD11 ' A' ' 40' ' ' LEU . 67.9 tp -105.08 144.38 31.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.11 112.86 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.113 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.478 ' CD1' HG13 ' A' ' 137' ' ' ILE . 5.3 mp -89.52 122.37 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -112.45 108.97 18.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.811 HD12 ' HB2' ' A' ' 133' ' ' LEU . 53.0 mt -82.47 129.1 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -116.71 128.33 55.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' ND1' ' HB2' ' A' ' 66' ' ' GLU . 11.2 t-80 -139.51 113.61 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.9 t70 -56.14 -56.18 24.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 65' ' ' ASP . 45.7 mm-40 -36.43 -45.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.8 t -55.06 145.56 20.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.7 m -87.14 -26.88 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.14 -30.36 63.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.401 ' O ' ' SG ' ' A' ' 74' ' ' CYS . 89.7 m -61.24 -31.61 71.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 34.4 m120 -67.43 -52.14 43.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -74.52 -54.76 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 13.9 t80 -45.56 -19.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.413 ' N ' ' C ' ' A' ' 72' ' ' VAL . 1.6 m -69.46 -67.0 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.418 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 78.3 p -88.27 -2.68 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 72' ' ' VAL . 9.1 mm100 -97.96 -50.87 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.92 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 15.3 mt -46.97 -26.29 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.418 ' HB3' ' C ' ' A' ' 75' ' ' SER . 13.9 p -58.8 -37.63 76.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.06 115.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.623 ' HA ' HG22 ' A' ' 84' ' ' VAL . 20.2 mt-10 -70.67 -44.19 67.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 44.4 p -50.69 -22.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 85' ' ' SER . 70.8 mt -94.79 -69.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.623 HG22 ' HA ' ' A' ' 81' ' ' GLU . 19.9 m -38.3 -28.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' ILE . 22.7 t -85.27 -63.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 3.6 t80 -48.66 -45.16 38.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.11 -40.12 95.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.6 p -68.17 -38.75 82.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -78.77 -62.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.06 -43.89 97.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.737 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.0 m-85 -114.74 177.34 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.8 mm -102.13 120.76 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.514 HG22 ' CD2' ' A' ' 35' ' ' PHE . 94.5 m -74.62 120.13 19.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.151 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.573 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 5.7 t90 -153.42 120.9 5.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -123.34 166.5 15.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.556 ' O ' HD12 ' A' ' 98' ' ' LEU . 72.7 t-105 -151.59 122.79 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.591 ' OD1' ' CE2' ' A' ' 20' ' ' PHE . 1.8 m-20 -78.51 111.56 14.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 96' ' ' TRP . 5.2 mp -94.97 10.75 34.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.6 m -49.21 -45.86 45.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -82.22 138.8 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -52.09 -51.2 59.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.2 m -54.44 -54.21 43.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -54.35 -57.75 10.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -43.57 -59.63 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -56.34 -51.74 67.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 105' ' ' ALA . 60.4 ttt180 -36.43 -56.27 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -56.42 -53.48 56.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 69.3 mt -51.74 -43.11 62.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.6 m -63.81 -67.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 10.0 ptm -47.08 -46.35 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.438 ' HG ' ' HD1' ' A' ' 115' ' ' PHE . 4.0 t -46.81 -57.19 5.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 112' ' ' ASN . 25.2 t-20 -45.6 -49.79 13.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -51.91 -44.0 63.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -82.82 -68.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.537 ' HB3' HG21 ' A' ' 119' ' ' VAL . 88.1 m-85 -78.26 -68.12 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.57 166.92 12.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.554 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.5 t -58.53 -41.38 85.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 25.7 m -47.22 -24.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 115' ' ' PHE . 84.7 t -91.07 -63.17 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.26 -46.6 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.609 ' O ' HG22 ' A' ' 125' ' ' THR . 37.4 tt0 -53.68 -54.24 40.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 95.2 m -42.58 -32.83 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.461 HD13 HD11 ' A' ' 62' ' ' LEU . 88.9 mt -85.89 -50.31 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -51.29 -38.23 51.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 121' ' ' GLN . 4.8 t -72.48 -34.6 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -63.62 147.54 51.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -77.76 169.91 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 38.4 m -66.46 -36.85 83.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.69 -47.06 64.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -40.03 -46.36 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.542 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 70.4 m-85 -53.65 153.58 7.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.83 142.79 71.84 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.331 0.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.811 ' HB2' HD12 ' A' ' 62' ' ' LEU . 13.1 mt -96.44 104.71 16.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.58 114.55 27.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.3 mp -115.47 152.27 33.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 93.0 mt -113.07 110.97 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.48 HD12 ' CE2' ' A' ' 115' ' ' PHE . 28.8 mm -105.21 120.83 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.855 ' HA ' HD22 ' A' ' 57' ' ' LEU . 5.7 ptm -82.63 -30.98 29.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 80.89 147.93 5.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.539 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 142' ' ' SER . 15.6 tttp -150.52 116.26 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.763 0.316 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.448 ' HG2' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -36.01 -30.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 140' ' ' LYS . 5.1 t -83.23 -67.6 0.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 64.0 p -151.5 128.09 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -69.53 152.29 44.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -152.11 162.63 40.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 67.4 t -93.75 130.02 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.07 -62.76 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -121.75 139.31 53.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 96.6 t -117.64 126.96 75.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 45.4 mt -118.08 106.68 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -42.69 -61.43 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 143.84 -19.8 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -79.58 11.79 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.955 0.407 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.0 t -77.53 177.65 7.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 158' ' ' GLU . 81.3 p -95.85 131.07 42.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.51 ' HA ' HD12 ' A' ' 159' ' ' LEU . 12.2 p -34.95 -35.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 155' ' ' THR . 7.4 m-20 -64.04 -50.08 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 155' ' ' THR . 6.1 mt-10 -48.68 -37.51 18.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 156' ' ' VAL . 11.1 mt -69.27 -47.32 64.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -53.24 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 162' ' ' ARG . 2.8 mmt -66.3 -55.25 16.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' MET . 1.3 mmp_? -38.14 -49.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 20.2 mt -47.91 -54.51 12.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.6 mmt -53.11 -58.96 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -42.56 -50.56 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -48.4 -40.81 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.605 ' O ' HG22 ' A' ' 171' ' ' THR . 5.1 mtp -69.57 -60.83 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -45.9 -42.65 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 30.8 mt -75.66 -49.34 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.621 ' CG ' HD21 ' A' ' 57' ' ' LEU . 28.1 t80 -42.67 -62.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.739 HG23 ' H ' ' A' ' 172' ' ' ALA . 0.7 OUTLIER -49.33 -64.34 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.739 ' H ' HG23 ' A' ' 171' ' ' THR . . . -44.37 -44.18 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -58.64 -44.71 90.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -68.1 167.3 14.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . 0.708 ' NE2' HD12 ' A' ' 178' ' ' ILE . 8.4 pt20 -65.32 158.04 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -82.72 -50.12 9.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -38.06 -57.23 1.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.708 HD12 ' NE2' ' A' ' 175' ' ' GLN . 72.6 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -96.17 104.7 16.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.54 160.2 42.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -95.56 176.25 6.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -66.04 114.07 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' O ' ' OE1' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -40.13 -57.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 15' ' ' ASP . . . -37.45 -62.96 0.87 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.461 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 14' ' ' GLY . 7.0 t70 -36.99 -56.4 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.825 0.345 . . . . 0.0 110.839 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.42 -50.75 9.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.19 -52.09 66.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.1 mt -46.99 -41.08 15.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -66.43 -48.12 71.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -60.31 -53.94 51.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.5 p -39.3 -58.57 1.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.8 -55.35 31.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -48.85 -44.41 39.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.2 t80 -58.38 -37.05 74.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.4 m -73.21 -40.16 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.6 p -69.4 -40.59 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.0 mtp85 -78.36 -63.18 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 38.7 m-85 -78.36 -68.45 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.93 151.73 7.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.67 -48.14 63.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.313 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.6 m -54.62 102.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -167.56 157.6 9.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.75 124.56 11.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.4 p -63.92 120.07 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 75.9 m-85 -82.25 145.26 30.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.621 ' CD2' ' OE1' ' A' ' 46' ' ' GLU . 43.6 t80 -68.59 103.81 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.4 mm -65.98 104.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' OE2' ' A' ' 13' ' ' GLU . . . 159.02 -164.3 33.69 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.5 t -89.53 144.56 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.875 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.588 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 8.9 tp -49.99 -24.5 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -56.46 -51.9 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -55.77 -51.01 68.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -35.64 -40.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -61.23 -44.13 97.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.548 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 5.3 pt20 -77.12 -45.94 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.621 ' OE1' ' CD2' ' A' ' 36' ' ' PHE . 27.8 tt0 -57.55 -9.96 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.97 -35.99 3.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 24.9 m-85 -97.72 -41.68 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.548 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 2.9 m-85 -77.69 16.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 46' ' ' GLU . 32.7 m -86.26 171.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.96 154.43 22.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.11 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -78.2 -39.2 41.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.57 15.31 2.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.482 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 43.9 mtm-85 -54.19 135.7 43.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 9.6 mtmp? -144.05 178.21 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.867 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 38.3 mt -112.02 175.33 5.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.4 tp -109.81 133.9 52.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.538 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -121.29 110.56 16.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.5 mt -93.07 115.6 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -108.62 112.03 24.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 133' ' ' LEU . 33.9 mt -91.38 106.34 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -84.28 118.83 24.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 5.3 t-80 -126.96 120.63 29.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.6 t0 -68.81 -56.51 7.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 29.4 mt-10 -33.44 -45.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.9 t -58.31 139.25 55.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.2 m -90.43 -26.77 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 70' ' ' THR . 12.5 mt -65.68 -47.77 74.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 69' ' ' LEU . 86.1 m -32.11 -43.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.576 ' OD1' HG13 ' A' ' 72' ' ' VAL . 1.3 p-10 -48.84 -54.15 16.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG13 ' OD1' ' A' ' 71' ' ' ASN . 23.6 m -84.45 -44.97 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 1.7 t80 -40.34 -35.44 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.495 ' CB ' HD12 ' A' ' 78' ' ' LEU . 27.6 p -90.97 -37.88 13.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.425 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 12.1 m -74.4 -12.1 60.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 72' ' ' VAL . 30.2 mm-40 -109.83 -38.73 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.603 ' HB3' HD11 ' A' ' 159' ' ' LEU . 19.4 mtt -99.85 -49.43 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' A' ' 74' ' ' CYS . 87.5 mt -82.64 17.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.425 ' HB3' ' C ' ' A' ' 75' ' ' SER . 2.6 p -105.35 -23.92 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.95 128.81 34.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.434 ' HA ' HG22 ' A' ' 84' ' ' VAL . 27.5 mt-10 -64.91 -40.2 94.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.8 t -62.81 -34.23 76.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.458 HD13 ' CE ' ' A' ' 160' ' ' MET . 29.6 mm -76.15 -58.7 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.477 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 24.9 m -54.6 -35.1 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 89' ' ' GLN . 3.9 t -77.21 -58.45 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -50.53 -46.78 57.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.569 HD11 ' HZ ' ' A' ' 134' ' ' PHE . 8.1 tp -68.03 -34.51 76.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.4 p -86.5 -11.61 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -96.55 -58.11 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.95 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.494 ' ND2' ' HG2' ' A' ' 89' ' ' GLN . 6.1 m-80 -80.09 -36.73 35.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.867 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.8 m-85 -110.53 167.99 9.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.8 mm -95.76 122.63 47.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 33' ' ' PRO . 26.0 m -86.4 113.26 22.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.588 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 82.1 t90 -140.82 127.45 20.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -124.07 155.33 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.501 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 76.4 t-105 -142.33 109.58 5.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -71.62 107.99 4.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.583 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -116.36 17.53 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.0 m -51.73 -43.47 62.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -68.66 149.78 48.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 101' ' ' ASP . 30.9 t0 -58.71 -58.04 10.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.4 t -41.89 -52.59 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.29 -39.93 78.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.8 ttt-85 -47.79 -53.12 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.49 -49.68 76.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 109' ' ' THR . 69.7 mtt-85 -43.36 -65.6 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.554 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 39.8 t80 -43.26 -45.91 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.427 ' O ' ' SG ' ' A' ' 111' ' ' CYS . 17.3 mt -72.2 -23.51 61.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 106' ' ' ARG . 32.0 m -82.26 -29.04 31.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.9 ptm -85.19 -38.07 19.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 108' ' ' LEU . 28.3 p -53.3 -26.86 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -74.44 -29.75 61.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -87.89 -41.72 13.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -71.5 -62.0 1.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -92.63 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 120' ' ' ALA . . . 148.18 -157.93 27.5 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.522 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.1 t -82.6 -55.17 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.378 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.6 t -38.89 -61.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.63 -46.5 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 116' ' ' GLY . . . -46.04 -61.03 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -44.59 -47.21 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.3 m -38.87 -51.73 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.7 mt -70.18 -56.43 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -40.29 -44.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 67.7 p -68.41 -40.6 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -53.86 119.55 5.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -59.21 177.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.1 m -72.74 -56.04 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.12 -41.97 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 -45.17 -43.53 10.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.512 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 21.6 m-85 -52.12 158.6 1.76 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.74 165.95 75.24 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.357 -0.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.625 ' HB2' HD12 ' A' ' 62' ' ' LEU . 16.5 mt -115.38 111.15 20.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.569 ' HZ ' HD11 ' A' ' 87' ' ' LEU . 2.2 t80 -97.44 119.05 35.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 135' ' ' LEU . 2.8 mp -123.6 143.45 50.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.478 HD12 ' HB2' ' A' ' 148' ' ' ASN . 57.4 mt -113.52 104.53 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 31.7 mm -96.96 107.33 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.538 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 14.6 ttp -97.68 -62.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 138' ' ' MET . . . 33.05 -146.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 139' ' ' GLY . 2.4 mptp? -122.23 177.02 5.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 36.6 ptt85 -50.38 -40.77 50.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 14.8 m -97.84 -66.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.7 p -63.73 162.12 13.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -142.45 153.32 43.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -160.7 168.06 25.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.456 HG11 ' CG2' ' A' ' 149' ' ' VAL . 97.9 t -106.28 125.24 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -93.96 -62.86 1.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . 0.478 ' HB2' HD12 ' A' ' 136' ' ' ILE . 91.8 m-20 -121.54 140.93 51.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.456 ' CG2' HG11 ' A' ' 146' ' ' VAL . 67.4 t -128.97 108.18 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 23.4 mt -99.78 140.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.44 -67.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 170.46 -27.79 0.11 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.44 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -80.05 12.98 2.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.955 0.407 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 8.9 t -65.43 178.15 1.01 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 158' ' ' GLU . 74.1 p -129.23 146.76 51.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 77' ' ' MET . 69.8 t -37.34 -48.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.44 -41.4 63.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 155' ' ' THR . 21.6 mm-40 -60.86 -48.04 83.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' ' 77' ' ' MET . 55.2 mt -49.38 -57.79 6.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.458 ' CE ' HD13 ' A' ' 83' ' ' ILE . 5.4 mmt -48.18 -53.45 16.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.6 mtp -57.09 -58.79 6.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.445 ' HD3' ' ND2' ' A' ' 148' ' ' ASN . 12.7 mmp_? -47.45 -48.08 26.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.04 -63.31 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 33.4 mtp -46.11 -51.86 13.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.92 -48.87 72.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -52.26 -35.81 50.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 41.7 mmm -73.37 -48.36 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -61.14 -38.25 85.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 74.1 mt -65.44 -38.62 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.451 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 26.1 t80 -53.15 -68.41 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.726 HG23 ' H ' ' A' ' 172' ' ' ALA . 1.3 t -50.44 -61.63 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.726 ' H ' HG23 ' A' ' 171' ' ' THR . . . -47.37 -37.76 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -66.98 -67.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.08 177.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -134.68 167.91 19.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -123.7 113.25 18.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.99 -61.27 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.692 ' H ' HD12 ' A' ' 178' ' ' ILE . 4.5 mp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -149.56 165.89 30.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.34 151.19 31.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -83.75 130.77 34.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 57.62 45.31 19.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -69.34 -61.84 1.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.24 -59.37 6.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.426 ' HA ' HD12 ' A' ' 18' ' ' LEU . 1.7 m-20 -50.71 -41.9 56.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.55 -48.48 71.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' LEU . 92.7 mt -63.75 -53.01 57.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LEU . 10.5 mt -34.03 -55.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -59.13 -57.86 11.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 2.4 t80 -46.71 -53.94 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -44.58 -52.51 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.149 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.43 -53.28 56.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' PHE . 9.7 mm-40 -58.19 -61.19 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.456 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 5.6 t80 -33.75 -57.76 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' SER . 38.8 p -58.77 -66.57 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' SER . 12.6 t -37.66 -52.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -39.78 -63.21 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -91.65 -67.74 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.42 -155.32 11.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.68 -39.19 15.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 t -52.87 107.43 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -167.9 152.99 6.65 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.546 0.688 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.736 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.9 Cg_endo -69.75 127.46 14.63 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.272 . . . . 0.0 112.318 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.9 p -56.63 106.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 71.1 m-85 -78.39 138.15 38.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 11.3 t80 -75.26 119.12 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mm -81.85 114.97 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.26 179.46 26.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.8 p -73.06 137.87 45.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.65 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 13.1 tp -51.69 -39.17 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.54 -30.04 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -76.98 -54.87 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.82 -35.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.531 ' CE1' HD23 ' A' ' 58' ' ' LEU . 68.2 m-85 -58.62 -48.27 81.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' ALA . 5.4 pt20 -58.71 -43.62 90.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 29.6 tp10 -62.63 -15.59 52.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.19 -49.63 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.576 ' CZ ' ' HA3' ' A' ' 139' ' ' GLY . 0.4 OUTLIER -98.02 -68.13 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.441 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 24.3 m-85 -43.74 -28.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.934 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.636 HG22 ' H ' ' A' ' 51' ' ' LYS . 6.3 p -53.79 171.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.636 ' H ' HG22 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -59.51 137.59 57.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.24 -31.16 13.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -49.29 -47.32 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.93 -70.36 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 54.46 34.23 20.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -52.4 176.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.633 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 14.4 mt -112.81 171.39 7.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.531 HD23 ' CE1' ' A' ' 44' ' ' PHE . 40.7 tp -109.61 147.58 32.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -144.91 113.15 6.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.45 HG21 ' HE2' ' A' ' 107' ' ' PHE . 4.1 mp -89.08 129.26 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CE1' HD11 ' A' ' 78' ' ' LEU . 33.5 t80 -115.22 104.16 11.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 107' ' ' PHE . 95.6 mt -82.48 124.33 29.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -106.26 130.59 54.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -133.02 125.21 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLU . 29.8 t0 -70.31 -61.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' ASP . 52.6 mt-10 -34.39 -42.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 t -61.78 135.36 57.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.8 m -86.09 -23.47 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.446 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 31.3 mt -70.65 -32.05 69.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.0 m -60.41 -46.34 90.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -46.29 -64.22 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 73' ' ' PHE . 26.8 m -69.46 -51.82 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.627 ' N ' HG23 ' A' ' 72' ' ' VAL . 3.3 t80 -37.83 -35.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 2.2 m -61.17 -68.99 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 54.0 p -76.96 0.07 22.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' VAL . 66.8 mm-40 -93.68 -56.26 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.586 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 15.1 mtt -104.72 -38.89 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 61' ' ' TYR . 13.6 mt -81.18 17.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.409 ' HB3' ' C ' ' A' ' 75' ' ' SER . 15.8 p -101.66 -33.38 9.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.621 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -55.42 143.6 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HA ' HG22 ' A' ' 84' ' ' VAL . 1.8 tt0 -86.77 -32.19 20.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.8 m -66.86 -33.53 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 29.8 mt -81.75 -60.5 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 80' ' ' ALA . 33.4 m -49.4 -31.32 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 m -84.24 -67.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 5.0 t80 -45.71 -37.5 5.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 tp -58.88 -46.53 87.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.6 p -75.09 -43.29 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -58.72 -53.02 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -84.53 -56.05 3.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.633 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 10.4 m-85 -97.27 177.21 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.3 mm -105.06 107.61 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.736 HG21 ' HB2' ' A' ' 33' ' ' PRO . 38.8 m -69.76 124.21 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.65 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 64.7 t90 -148.32 123.02 9.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -109.81 156.34 20.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 70.9 t-105 -148.32 127.45 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.34 109.6 20.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -112.34 12.77 20.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.3 m -49.06 -49.9 39.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.435 ' HE2' ' N ' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -63.73 139.31 58.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -48.35 -50.16 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -54.53 -55.4 29.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -53.18 -45.06 68.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -46.22 -49.73 16.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 108' ' ' LEU . . . -61.94 -48.25 81.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.475 ' O ' ' CG ' ' A' ' 110' ' ' MET . 69.0 mtt180 -40.29 -57.74 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.786 ' CD2' HD21 ' A' ' 62' ' ' LEU . 60.3 t80 -52.92 -31.81 42.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.697 HD22 ' HB1' ' A' ' 120' ' ' ALA . 12.6 mt -79.9 -65.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 110' ' ' MET . 0.8 OUTLIER -48.76 -41.93 33.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -69.17 -38.12 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 107' ' ' PHE . 1.7 m -64.53 -43.06 95.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -50.54 -32.45 18.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -94.56 -57.31 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -51.97 -59.94 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -97.56 -68.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.9 -169.31 35.83 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.7 m -82.73 -42.67 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 22.2 m -48.72 -22.8 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -89.45 -57.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.697 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . -52.92 -53.54 47.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -42.92 -55.05 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.8 m -46.74 -44.28 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.4 mm -57.85 -48.91 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -44.78 -43.51 8.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.0 p -71.87 -37.34 70.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -56.67 122.29 11.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -73.5 177.87 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 27.8 m -70.62 -64.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -39.92 -45.63 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -41.37 -42.19 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.531 ' CZ ' HD12 ' A' ' 133' ' ' LEU . 16.3 m-85 -52.07 158.9 1.62 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.4 Cg_endo -69.79 -178.09 16.0 Favored 'Cis proline' 0 C--O 1.232 0.211 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.337 0.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 151' ' ' GLN . 38.4 mt -133.6 103.78 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.49 ' C ' HD22 ' A' ' 135' ' ' LEU . 3.4 t80 -90.17 111.28 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.868 HD13 ' HA ' ' A' ' 149' ' ' VAL . 1.1 mm? -102.74 163.54 12.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 162' ' ' ARG . 87.0 mt -138.0 106.98 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 5.4 mp -103.86 137.21 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.401 ' HA ' HD22 ' A' ' 57' ' ' LEU . 2.4 ttt -86.65 -44.58 11.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.576 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 90.34 139.06 7.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 141' ' ' ARG . 20.9 mtmt -156.36 124.47 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 140' ' ' LYS . 37.5 ttp180 -33.19 -37.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 140' ' ' LYS . 15.6 t -67.6 -57.58 6.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.4 p -164.17 170.96 15.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -112.75 146.17 39.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.55 147.81 22.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 146' ' ' VAL . 2.6 m -80.64 119.62 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.1 mp -77.43 -21.18 53.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . 0.543 ' ND2' ' NH1' ' A' ' 162' ' ' ARG . 58.8 m-20 -158.0 146.93 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.868 ' HA ' HD13 ' A' ' 135' ' ' LEU . 64.0 t -122.81 101.98 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.613 HD11 ' HG3' ' A' ' 162' ' ' ARG . 10.6 mt -92.33 150.72 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.576 ' HA ' HD23 ' A' ' 133' ' ' LEU . 2.4 mp0 -115.81 178.38 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -68.01 -21.01 73.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -78.93 2.43 20.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.499 ' O ' ' CE ' ' A' ' 77' ' ' MET . 2.6 t -69.25 147.59 51.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 71.1 p -84.86 133.07 34.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 157' ' ' ASP . 11.9 p -40.34 -42.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.479 ' N ' HG13 ' A' ' 156' ' ' VAL . 1.1 m-20 -59.6 -44.5 93.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.12 -49.04 72.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 79.6 mt -45.38 -55.92 5.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 41.4 tpp -56.19 -43.39 78.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 162' ' ' ARG . 73.3 mmm -59.61 -59.61 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.613 ' HG3' HD11 ' A' ' 150' ' ' ILE . 7.9 mmt180 -37.01 -63.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.402 HD22 ' CG ' ' A' ' 91' ' ' PHE . 88.6 mt -43.12 -58.52 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.2 mtm -48.08 -42.8 29.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.89 -61.77 2.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -44.01 -41.42 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 3.5 mmt -60.97 -53.33 58.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.43 -52.13 66.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 44.2 mt -57.03 -39.21 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.37 -55.18 34.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 23.2 p -57.71 -52.27 66.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.57 64.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -52.47 -52.13 55.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -61.71 151.03 34.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -88.83 126.92 35.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -144.9 121.56 11.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -78.69 -60.91 2.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.659 ' H ' HD12 ' A' ' 178' ' ' ILE . 4.5 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.878 0.371 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -61.16 -46.64 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.4 172.37 9.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -113.83 134.21 54.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -56.54 -57.6 11.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -51.31 -54.15 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.58 -47.57 17.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -57.82 -55.19 38.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.63 -41.64 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' LEU . 92.5 mt -71.21 -56.52 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.8 mt -34.38 -43.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -67.73 -66.3 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -45.49 -52.4 10.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.4 p -46.58 -49.45 18.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.69 -67.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' PHE . 9.0 mm-40 -52.46 -61.12 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' GLU . 24.7 t80 -33.69 -42.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' SER . 4.2 m -79.3 -64.22 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' SER . 29.7 t -37.14 -41.98 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mtt-85 -54.19 -58.67 6.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 75' ' ' SER . 30.4 m-85 -84.66 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.58 -160.97 22.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -89.82 -44.61 9.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.78 0.324 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.7 p -53.22 114.64 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -167.45 156.15 8.94 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.4 Cg_endo -69.82 128.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 p -58.67 114.77 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -88.45 127.24 35.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -64.41 107.63 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.0 mm -66.97 104.73 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.32 -163.38 33.89 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' ALA . 77.3 p -101.58 153.35 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 tp -41.18 -40.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.57 -40.07 78.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 39' ' ' SER . . . -58.71 -55.05 40.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.79 -45.13 3.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -57.65 -35.79 70.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.432 ' OE1' ' CE2' ' A' ' 49' ' ' TYR . 5.9 mm100 -66.52 -21.54 66.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' HA ' HG13 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -116.01 7.07 14.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.21 -59.93 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -116.08 -36.11 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.432 ' CE2' ' OE1' ' A' ' 45' ' ' GLN . 3.0 m-85 -51.04 -27.02 7.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.543 HG13 ' HA ' ' A' ' 46' ' ' GLU . 19.7 m -62.16 177.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 161.17 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.66 -33.17 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -82.07 -34.09 29.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -85.93 0.54 52.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -53.15 146.98 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -150.01 177.99 9.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.98 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 85.5 mt -111.58 162.15 15.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.6 tp -116.01 147.52 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -147.21 109.25 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -83.17 125.59 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CE1' HD11 ' A' ' 78' ' ' LEU . 14.6 t80 -108.63 105.53 15.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.638 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 81.3 mt -77.3 116.89 18.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -89.38 135.08 33.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 8.1 t-80 -143.24 124.06 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -76.95 -56.73 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 22.2 mt-10 -37.86 -41.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 t -58.94 154.43 15.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -97.42 -34.22 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.2 mt -66.84 -33.11 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.6 m -55.13 -40.4 70.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 74' ' ' CYS . 13.9 t-20 -49.7 -63.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.6 HG23 ' H ' ' A' ' 73' ' ' PHE . 15.8 m -70.88 -55.69 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.6 ' H ' HG23 ' A' ' 72' ' ' VAL . 8.5 t80 -46.26 -20.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.445 ' SG ' ' CZ ' ' A' ' 24' ' ' PHE . 10.8 t -73.87 -54.65 7.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 95.6 p -97.11 0.83 49.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 72' ' ' VAL . 95.8 mm-40 -106.09 -47.12 3.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.9 -56.53 2.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.699 HD11 ' CE1' ' A' ' 61' ' ' TYR . 7.5 mt -59.8 -28.88 67.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.448 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.3 m -90.18 -8.54 50.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.702 ' HB3' HD12 ' A' ' 83' ' ' ILE . . . -52.1 102.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.069 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.587 ' HA ' HG22 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -47.16 -57.09 5.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -48.31 -19.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.702 HD12 ' HB3' ' A' ' 80' ' ' ALA . 80.2 mt -98.06 -69.42 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 81' ' ' GLU . 23.6 m -36.87 -30.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 83' ' ' ILE . 2.8 m -70.72 -52.87 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.659 ' CE2' ' CG ' ' A' ' 90' ' ' ASN . 44.6 t80 -79.26 -55.41 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 91' ' ' PHE . 6.7 tp -41.77 -34.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -90.04 -43.04 10.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.75 -61.2 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.659 ' CG ' ' CE2' ' A' ' 86' ' ' TYR . 5.8 m-80 -77.07 -50.63 12.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.98 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -99.13 176.01 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.9 mm -113.25 117.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' ' 33' ' ' PRO . 27.4 m -79.82 134.48 36.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 96' ' ' TRP . 58.4 t90 -155.81 108.75 2.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.13 146.14 25.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 94' ' ' TRP . 74.8 t-105 -140.29 128.64 22.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.66 107.72 16.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.489 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -115.12 7.63 15.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.4 m -63.52 -40.15 96.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -65.25 125.39 24.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 100' ' ' LYS . 6.8 p-10 -33.78 -50.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.6 p -56.43 -65.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 104' ' ' ARG . 3.0 m120 -50.18 -53.8 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 103' ' ' ASN . 7.6 tmm_? -33.99 -59.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.72 -47.98 82.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttt85 -43.52 -67.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.638 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 71.0 t80 -41.5 -61.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 8.4 mt -42.47 -53.91 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.3 m -56.74 -46.19 81.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 8.3 mtm -58.94 -52.81 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.48 ' SG ' ' CZ ' ' A' ' 107' ' ' PHE . 6.9 m -59.42 -43.79 92.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -42.54 -39.41 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 114' ' ' HIS . 9.4 ttt85 -93.77 -66.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 113' ' ' ARG . 15.2 m-70 -34.57 -56.12 0.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.576 ' CE1' HG12 ' A' ' 137' ' ' ILE . 20.5 m-85 -96.81 -59.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.08 166.74 13.32 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 t -59.82 -44.7 93.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.3 t -48.22 -46.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 83.0 t -67.84 -65.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -39.36 -56.44 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -40.46 -49.13 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 95.0 m -50.93 -41.63 59.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.185 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.3 mm -67.08 -24.73 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -73.54 -55.5 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.8 t -66.4 -23.84 66.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.71 117.47 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -68.57 174.45 4.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 66' ' ' GLU . 72.8 m -69.89 -59.64 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.6 OUTLIER -36.4 -42.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -50.35 -46.4 55.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.534 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 44.3 m-85 -52.05 156.08 2.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.76 164.91 78.02 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 -1.788 . . . . 0.0 112.34 0.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.6 mt -122.33 105.09 9.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -92.21 114.55 27.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.69 136.91 52.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.401 HG21 ' CB ' ' A' ' 166' ' ' ALA . 64.2 mt -106.39 113.88 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.576 HG12 ' CE1' ' A' ' 115' ' ' PHE . 4.8 mp -106.63 147.62 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.464 ' HE1' HD11 ' A' ' 147' ' ' LEU . 13.0 ttp -155.27 137.0 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 173.91 -157.8 26.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 142' ' ' SER . 0.5 OUTLIER -120.33 157.75 28.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.781 0.324 . . . . 0.0 110.912 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -25.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 140' ' ' LYS . 36.2 t -64.91 -48.54 73.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.4 t -167.44 161.48 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -135.25 175.47 9.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -163.1 164.34 25.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.6 t -79.58 114.03 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.464 HD11 ' HE1' ' A' ' 138' ' ' MET . 2.6 mm? -82.08 -54.7 5.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -127.6 154.62 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 67.2 t -131.86 106.5 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.495 HD11 ' CB ' ' A' ' 162' ' ' ARG . 42.6 mt -106.98 144.48 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -105.42 149.99 25.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -53.15 -15.27 3.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -83.71 8.77 13.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.418 HG21 HG21 ' A' ' 150' ' ' ILE . 7.2 t -79.22 170.79 16.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 65.0 p -102.15 148.21 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.579 HG22 ' SD ' ' A' ' 77' ' ' MET . 86.5 t -46.41 -51.51 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -58.34 -50.88 72.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -49.8 -51.04 42.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.588 HD11 ' CE2' ' A' ' 73' ' ' PHE . 15.1 mt -45.83 -64.66 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 83' ' ' ILE . 18.0 tpp -48.5 -45.66 37.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.2 mmt -57.34 -50.51 72.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.495 ' CB ' HD11 ' A' ' 150' ' ' ILE . 10.4 mmt180 -50.96 -54.28 25.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.632 HD22 ' CD2' ' A' ' 91' ' ' PHE . 57.5 mt -43.53 -49.44 7.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.7 mtt -60.58 -37.7 82.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -64.16 -23.64 67.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.401 ' CB ' HG21 ' A' ' 136' ' ' ILE . . . -89.42 -38.97 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.603 ' HA ' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -76.27 -32.19 58.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.85 -34.72 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.441 HG22 ' HG3' ' A' ' 173' ' ' GLN . 97.1 mt -73.89 -40.18 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -48.63 -56.75 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 43.0 p -58.3 -47.56 83.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -61.24 -26.03 67.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.441 ' HG3' HG22 ' A' ' 169' ' ' ILE . 10.2 mt-30 -73.7 -65.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -48.75 -48.5 40.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.68 122.0 24.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -149.5 124.95 10.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -114.01 -37.58 4.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.773 ' H ' HD12 ' A' ' 178' ' ' ILE . 4.8 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.867 0.365 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -98.5 13.0 33.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.14 17.74 4.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.64 134.19 47.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' GLU . 70.8 m-80 -97.06 -51.09 4.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' ASN . 2.5 mp0 -37.28 -54.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -37.86 -68.82 0.37 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.65 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -54.98 -50.27 69.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.24 -48.93 12.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' LEU . 58.3 mt -61.23 -55.44 31.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' A' ' 15' ' ' ASP . 11.8 mt -33.96 -53.21 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -54.72 -50.77 67.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -60.96 -52.59 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.3 m -53.62 -42.96 68.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.62 -62.95 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.42 -48.06 47.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 3.1 t80 -53.34 -54.43 36.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 m -40.32 -65.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.9 m -60.85 -47.03 88.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -39.92 -63.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -94.67 -62.85 1.25 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.57 166.51 35.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -45.31 93.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.15 108.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -168.01 154.35 7.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.588 0.708 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 119.7 6.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.2 p -52.05 111.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.781 ' CD2' HG22 ' A' ' 93' ' ' THR . 65.6 m-85 -85.26 140.0 31.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 7.2 t80 -77.21 112.23 13.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.513 HD12 ' HG ' ' A' ' 18' ' ' LEU . 26.9 mm -71.48 113.51 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.35 -139.76 6.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.8 p -122.49 151.38 41.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.981 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 18.4 tp -43.55 -40.87 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -57.57 -62.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -39.3 -52.14 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.02 -52.07 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 63.7 m-85 -46.65 -48.89 19.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.562 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 54.8 mt-30 -55.56 -63.93 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' HG11 ' A' ' 50' ' ' VAL . 10.9 tp10 -60.38 -0.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -98.87 -47.68 5.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' CB ' ' HG3' ' A' ' 141' ' ' ARG . 17.6 m-85 -118.0 -30.33 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 45' ' ' GLN . 3.0 m-85 -76.89 17.99 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.988 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 46' ' ' GLU . 35.6 m -98.94 176.0 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -54.61 135.19 46.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.36 -25.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.2 mmt-85 -89.53 -39.55 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.485 ' O ' HG21 ' A' ' 50' ' ' VAL . 28.7 m-20 -83.91 16.87 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 26.7 mtp180 -56.78 129.83 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -135.41 175.0 9.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.764 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 52.7 mt -112.33 167.96 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.2 tp -107.77 136.73 47.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.98 122.68 21.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.1 mt -98.65 135.31 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -121.71 128.88 52.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD22 HD22 ' A' ' 98' ' ' LEU . 73.2 mt -106.5 130.98 54.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -106.46 128.75 54.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.6 t-80 -138.85 117.76 12.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 66' ' ' GLU . 13.5 t70 -64.58 -53.65 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.0 mm-40 -35.94 -44.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 t -57.13 159.64 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.3 m -105.23 -36.53 3.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.42 -33.84 76.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.0 m -52.11 -50.97 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -39.03 -65.16 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.612 HG23 ' N ' ' A' ' 73' ' ' PHE . 18.2 m -70.47 -55.3 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.612 ' N ' HG23 ' A' ' 72' ' ' VAL . 7.7 t80 -43.04 -21.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 4.0 t -73.1 -53.52 10.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.457 ' C ' ' HB2' ' A' ' 79' ' ' CYS . 24.8 p -96.86 0.33 49.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 93.7 mm-40 -105.88 -47.69 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.578 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -97.8 -55.73 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 10.2 mt -62.11 -17.38 57.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.457 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.3 m -103.16 18.0 22.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.429 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -86.78 103.01 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -43.53 -51.78 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.7 p -55.2 -37.94 67.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 29.7 mm -78.4 -70.02 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 20.2 m -42.43 -40.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.177 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 84' ' ' VAL . 41.0 t -58.95 -56.8 17.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.582 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 28.8 t80 -70.1 -58.38 3.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD13 ' HZ ' ' A' ' 134' ' ' PHE . 16.9 tp -41.73 -36.34 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 82.8 p -86.73 -50.76 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.45 -61.29 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.582 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 2.4 m-80 -73.07 -58.13 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.764 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -93.89 176.74 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.4 mm -105.02 132.07 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.781 HG22 ' CD2' ' A' ' 35' ' ' PHE . 66.6 m -89.23 114.66 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.981 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 11.1 t90 -139.09 116.4 11.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.88 159.6 16.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -157.93 115.53 3.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -79.16 104.62 9.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.404 ' HA ' ' CB ' ' A' ' 103' ' ' ASN . 1.5 pt? -112.13 11.81 20.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 m -44.54 -68.21 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -63.0 137.11 58.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 102' ' ' SER . 0.9 OUTLIER -42.49 -50.29 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' ASP . 56.3 m -37.15 -50.69 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.404 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 28.0 m120 -83.79 -35.56 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -39.02 -47.48 1.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -74.82 -45.66 41.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 105' ' ' ALA . 9.7 mmt-85 -36.68 -43.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -81.43 -52.79 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -47.65 -64.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.4 m -39.92 -47.92 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 111' ' ' CYS . 1.8 mmt -59.8 -61.51 2.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.7 ' HB3' ' HB2' ' A' ' 120' ' ' ALA . 7.6 t -36.5 -55.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -40.78 -42.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' HIS . 3.0 ttp180 -90.72 -68.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' ARG . 2.5 m-70 -34.38 -65.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 137' ' ' ILE . 28.9 m-85 -94.18 -62.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.1 163.1 14.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 44.8 p -66.3 -46.11 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.894 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.1 m -51.61 -39.74 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.4 t -73.04 -56.88 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.7 ' HB2' ' HB3' ' A' ' 111' ' ' CYS . . . -51.26 -61.38 2.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -38.24 -51.91 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 88.2 m -43.63 -46.59 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.19 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.451 HD12 HD13 ' A' ' 133' ' ' LEU . 50.6 mm -55.61 -41.95 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -58.68 -45.55 89.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 70.0 p -66.67 -40.26 88.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -52.07 119.2 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -55.6 176.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 55.3 m -77.46 -55.98 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -39.16 -48.39 1.73 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -39.97 -44.15 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.527 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 14.6 m-85 -52.08 157.46 2.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.674 0.75 . . . . 0.0 110.837 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.72 146.89 83.35 Favored 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.385 -0.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.451 HD13 HD12 ' A' ' 123' ' ' ILE . 12.4 mt -92.43 119.01 31.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.484 ' HZ ' HD13 ' A' ' 87' ' ' LEU . 8.4 t80 -113.12 107.59 16.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.1 mp -106.71 160.07 15.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.3 mt -124.29 108.06 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 115' ' ' PHE . 3.7 mp -95.78 104.45 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.163 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.467 ' HB3' HD13 ' A' ' 147' ' ' LEU . 5.5 ttp -97.91 -68.56 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.439 ' C ' ' HE3' ' A' ' 140' ' ' LYS . . . 37.22 -155.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.439 ' HE3' ' C ' ' A' ' 139' ' ' GLY . 0.0 OUTLIER -111.13 177.99 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.432 ' HG3' ' CB ' ' A' ' 48' ' ' PHE . 23.3 ttp180 -47.13 -41.42 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.9 m -97.51 -53.71 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.6 m -61.16 158.77 13.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -151.08 114.44 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -153.25 133.63 13.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.545 HG12 HG13 ' A' ' 137' ' ' ILE . 3.7 m -72.19 125.21 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 138' ' ' MET . 10.0 mp -83.82 -28.4 28.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -147.93 151.36 35.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.8 110.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.442 HG21 HG21 ' A' ' 154' ' ' THR . 24.9 mt -96.09 118.82 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -52.22 -58.27 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 150.93 -17.58 0.94 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -79.85 8.75 6.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.442 HG21 HG21 ' A' ' 150' ' ' ILE . 12.4 t -69.92 157.22 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 158' ' ' GLU . 16.8 p -95.06 137.04 34.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.604 ' HA ' HD12 ' A' ' 159' ' ' LEU . 63.1 t -39.51 -48.9 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.39 -38.95 60.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 155' ' ' THR . 19.6 mm-40 -71.2 -42.07 69.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 156' ' ' VAL . 37.9 mt -46.01 -59.02 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 38.8 tpp -45.69 -45.51 14.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -56.52 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -50.45 -52.25 39.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 31.4 mt -59.79 -55.62 31.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.2 mmt -50.48 -45.62 56.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.9 -56.61 17.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.406 ' HB3' ' HZ ' ' A' ' 91' ' ' PHE . . . -40.36 -49.94 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.652 ' O ' HG22 ' A' ' 171' ' ' THR . 3.3 mmt -66.95 -60.85 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -41.82 -42.55 2.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 26.5 mt -70.4 -45.24 75.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.27 -63.69 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.754 HG23 ' H ' ' A' ' 172' ' ' ALA . 0.7 OUTLIER -41.99 -63.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.754 ' H ' HG23 ' A' ' 171' ' ' THR . . . -54.9 -47.69 74.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 174' ' ' GLN . 11.4 tt0 -46.79 -51.59 16.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 173' ' ' GLN . 9.6 mm-40 -36.0 -54.33 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -62.59 138.36 58.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 177' ' ' ASP . 5.9 pt-20 -73.68 -38.98 64.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 176' ' ' GLU . 5.3 t0 -95.96 -62.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 75.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.834 0.35 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -141.42 135.74 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.77 102.78 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -70.44 -3.92 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -65.48 -49.2 69.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -70.84 -46.45 62.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.1 -52.86 29.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.66 ' HA ' HD12 ' A' ' 18' ' ' LEU . 14.0 m-20 -55.35 -46.43 76.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.16 -45.45 61.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 95' ' ' ALA . 63.0 mt -69.09 -43.9 73.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 15' ' ' ASP . 9.4 mt -45.77 -23.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.48 -61.24 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.501 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 1.3 t80 -49.52 -39.53 34.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.484 HG23 ' HD2' ' A' ' 35' ' ' PHE . 97.8 m -57.3 -64.0 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.67 -47.7 50.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.74 -59.32 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -42.49 -37.22 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' GLY . 40.3 t -62.07 -61.12 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 m -59.0 -45.62 90.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -42.89 -60.98 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -96.91 -64.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 25' ' ' SER . . . -176.64 170.93 43.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.422 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 3.9 m-20 -60.18 -43.97 95.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.7 p -52.44 109.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 1.5 p80 -168.11 152.52 6.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.567 0.699 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.434 ' HB2' HG21 ' A' ' 93' ' ' THR . 54.3 Cg_endo -69.74 151.84 69.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.97 102.62 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.484 ' HD2' HG23 ' A' ' 21' ' ' THR . 89.0 m-85 -77.02 122.87 25.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.97 125.56 24.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.529 HD12 ' HG ' ' A' ' 18' ' ' LEU . 26.8 mm -89.22 117.31 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 143.88 -159.51 27.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.2 p -83.03 177.88 8.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.382 . . . . 0.0 110.831 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.436 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 9.3 tp -81.06 -41.77 22.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -53.49 -42.12 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.6 -53.24 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.669 ' HB1' HD13 ' A' ' 58' ' ' LEU . . . -40.77 -56.77 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.781 ' CE1' HD23 ' A' ' 58' ' ' LEU . 45.0 m-85 -46.79 -38.9 10.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 49.6 mt-30 -74.48 -61.58 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -46.9 -19.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.25 -51.24 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.61 ' CZ ' ' O ' ' A' ' 138' ' ' MET . 5.0 m-85 -97.58 -65.14 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.466 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 3.3 m-85 -32.84 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' A' ' 48' ' ' PHE . 17.8 m -59.77 171.77 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 pttt -57.36 164.07 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.35 -35.27 79.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mtt85 -72.31 -21.61 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -107.65 11.39 28.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -65.44 139.96 58.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 89' ' ' GLN . 49.5 mtmt -155.73 177.87 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 22.7 mt -111.77 154.65 24.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.781 HD23 ' CE1' ' A' ' 44' ' ' PHE . 28.9 tp -104.4 154.09 20.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.964 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.552 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -147.67 114.24 6.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.21 129.55 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -114.54 113.79 24.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.983 HD12 ' HB2' ' A' ' 133' ' ' LEU . 52.3 mt -87.42 113.75 23.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -98.53 122.19 41.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 13.9 t-80 -129.19 142.88 50.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -83.67 -59.2 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 18.8 mm-40 -39.16 -44.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.5 t -55.64 157.34 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.2 m -108.31 -26.15 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 58.5 mt -80.2 12.32 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.2 m -85.51 -41.5 15.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 75' ' ' SER . 4.3 p-10 -73.36 -45.83 52.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 73' ' ' PHE . 33.3 m -68.96 -51.15 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.65 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 2.4 t80 -47.78 -48.71 30.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.685 ' CB ' HD12 ' A' ' 78' ' ' LEU . 32.1 p -77.35 -46.21 23.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 23.1 t -66.29 -14.53 62.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' VAL . 55.4 mm-40 -108.55 -38.56 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.672 ' SD ' HD11 ' A' ' 159' ' ' LEU . 12.7 mtt -100.75 -50.25 3.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.685 HD12 ' CB ' ' A' ' 74' ' ' CYS . 73.4 mt -80.97 17.09 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.401 ' HB3' ' C ' ' A' ' 75' ' ' SER . 6.7 p -104.83 -22.38 13.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.412 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -84.09 122.71 29.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 85' ' ' SER . 27.9 mm-40 -56.04 -40.33 73.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -60.17 -42.43 94.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.465 HG13 ' CG2' ' A' ' 156' ' ' VAL . 34.7 mm -68.17 -58.33 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.421 ' CG1' ' HD3' ' A' ' 33' ' ' PRO . 35.3 m -61.44 -26.86 40.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 28.6 t -74.51 -55.32 6.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.639 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 5.0 t80 -66.76 -41.91 87.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' PHE . 14.1 tp -61.28 -35.09 76.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.7 t -83.83 -37.06 22.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.425 ' O ' ' CD ' ' A' ' 56' ' ' LYS . 8.9 mt-30 -76.6 -61.32 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.639 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 5.9 m-80 -67.24 -40.61 86.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.6 ' CG ' HD22 ' A' ' 163' ' ' LEU . 4.0 m-85 -116.96 165.5 13.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -95.18 116.29 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' ' 33' ' ' PRO . 9.4 m -74.33 135.96 42.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.436 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 3.1 t90 -156.62 118.08 3.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.431 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -116.9 150.94 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 70.9 t-105 -144.91 125.55 14.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -86.85 127.67 35.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 104' ' ' ARG . 4.9 mp -116.37 8.62 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.6 m -40.51 -62.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.425 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 0.7 OUTLIER -68.18 125.56 26.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -40.18 -43.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.5 t -46.48 -52.08 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 100' ' ' LYS . 67.9 m-80 -65.83 -52.76 47.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.831 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.599 ' HA ' HD23 ' A' ' 98' ' ' LEU . 20.6 ttp180 -37.53 -46.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.68 -47.84 61.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.8 mtp85 -43.48 -64.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.515 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 78.6 t80 -45.86 -58.33 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.7 mt -46.6 -39.14 10.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 95.1 m -73.26 -65.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.417 ' CG ' ' HA ' ' A' ' 107' ' ' PHE . 8.0 ptp -49.58 -29.38 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.65 -41.56 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.498 ' HA ' ' CA ' ' A' ' 116' ' ' GLY . 42.5 t-20 -73.03 -51.9 16.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.27 -43.36 22.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -88.91 -70.55 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.47 ' CB ' HG11 ' A' ' 119' ' ' VAL . 18.6 m-85 -73.49 -69.61 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.498 ' CA ' ' HA ' ' A' ' 112' ' ' ASN . . . 147.06 177.96 22.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.7 t -73.18 -46.35 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.5 m -39.35 -36.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.47 HG11 ' CB ' ' A' ' 115' ' ' PHE . 3.0 p -91.59 -42.98 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.36 -46.8 66.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -48.3 -55.76 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 93.6 m -46.62 -46.01 19.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.46 HG21 ' HE2' ' A' ' 107' ' ' PHE . 26.8 mm -58.58 -41.51 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 124' ' ' ARG . 24.1 ttm105 -59.76 -46.58 88.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 56.8 p -66.68 -40.36 88.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -52.12 114.33 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -57.04 171.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.3 m -64.98 -57.23 9.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.182 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.8 OUTLIER -44.86 -48.49 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 129' ' ' ASP . 73.2 mm-40 -36.54 -33.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.545 ' CE2' HD13 ' A' ' 62' ' ' LEU . 5.3 m-85 -65.02 155.54 83.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.77 161.85 85.36 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.32 -0.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.983 ' HB2' HD12 ' A' ' 62' ' ' LEU . 18.4 mt -114.08 105.81 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.552 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 11.0 t80 -93.65 118.56 31.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.22 142.87 49.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 148' ' ' ASN . 67.2 mt -110.63 130.9 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 144' ' ' ASN . 4.8 mp -124.07 142.12 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.61 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 4.8 ttp -87.65 -41.82 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.594 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . 88.94 139.21 6.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.446 ' HA ' ' CE ' ' A' ' 140' ' ' LYS . 0.1 OUTLIER -154.24 162.2 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.888 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.7 tpt85 -62.33 -44.96 95.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.7 t -66.54 -65.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.1 m -156.93 166.32 33.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.456 ' HB3' HG21 ' A' ' 137' ' ' ILE . 1.1 m120 -94.69 143.97 26.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -141.08 130.61 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 1.9 m -73.14 146.02 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.3 mp -107.78 -32.17 7.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . 0.473 ' HB2' HD12 ' A' ' 136' ' ' ILE . 3.8 m120 -135.85 142.41 44.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 91.9 t -127.61 105.19 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.61 HG21 HG21 ' A' ' 154' ' ' THR . 58.9 mt -96.54 120.54 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 132' ' ' PRO . 8.7 mp0 -62.04 -69.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 168.64 -23.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -81.03 16.53 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.61 HG21 HG21 ' A' ' 150' ' ' ILE . 11.2 t -75.11 161.88 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 48.1 p -99.07 143.92 28.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.465 ' CG2' HG13 ' A' ' 83' ' ' ILE . 12.4 p -46.2 -38.45 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -60.35 -43.59 96.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 161' ' ' MET . 7.4 mm-40 -53.59 -48.27 69.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.672 HD11 ' SD ' ' A' ' 77' ' ' MET . 30.9 mt -45.41 -51.98 10.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 3.8 mmt -46.88 -57.52 4.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . 0.485 ' CG ' ' O ' ' A' ' 158' ' ' GLU . 5.3 ptm -63.43 -36.21 82.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 161' ' ' MET . 35.6 mmt-85 -58.83 -41.53 87.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.6 HD22 ' CG ' ' A' ' 91' ' ' PHE . 65.4 mt -74.95 -48.38 24.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 13.5 mtt -58.96 -54.66 44.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 168' ' ' GLU . . . -54.19 -40.68 67.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -60.07 -28.05 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 4.4 mmt -74.89 -55.74 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 8.4 pt-20 -56.26 -37.27 69.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.491 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 86.1 mt -72.19 -58.35 5.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.501 ' CE1' ' HG2' ' A' ' 174' ' ' GLN . 2.1 t80 -38.82 -63.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 30.3 p -43.63 -53.69 5.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.9 81.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -65.81 -55.25 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.501 ' HG2' ' CE1' ' A' ' 170' ' ' PHE . 0.0 OUTLIER -65.68 152.35 44.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . 0.644 ' NE2' ' H ' ' A' ' 175' ' ' GLN . 1.6 pm0 -106.93 159.43 16.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -153.9 109.55 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -74.84 -50.88 15.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 64.3 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.843 0.354 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -95.5 -61.36 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.54 108.38 13.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -117.84 119.28 34.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.3 m-20 -79.36 -63.54 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.58 ' OE2' ' CZ3' ' A' ' 96' ' ' TRP . 6.6 mm-40 -39.2 -49.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.18 -69.32 0.91 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.644 ' HA ' HD12 ' A' ' 18' ' ' LEU . 39.0 t0 -45.1 -43.2 9.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.38 89.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 21' ' ' THR . 66.0 mt -70.45 -40.72 73.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 15' ' ' ASP . 13.7 mt -50.23 -45.98 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -61.8 -45.56 93.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -62.1 -35.63 79.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.684 HG22 ' HD2' ' A' ' 35' ' ' PHE . 43.7 p -70.65 -53.61 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.6 -36.47 66.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -78.64 -41.59 31.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.5 t80 -56.77 -52.1 66.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 29' ' ' GLY . 11.0 p -48.34 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 m -56.85 -51.92 67.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -39.72 -61.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -95.42 -65.54 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 178.89 170.74 41.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -64.1 -44.12 93.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.822 0.344 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -61.68 103.64 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -167.74 152.76 6.71 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.612 0.72 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.52 6.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.321 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.531 ' O ' ' CD1' ' A' ' 35' ' ' PHE . 31.1 m -52.56 173.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.684 ' HD2' HG22 ' A' ' 21' ' ' THR . 20.9 m-85 -141.37 132.95 27.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -65.17 115.72 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.511 HD12 ' HG ' ' A' ' 18' ' ' LEU . 39.9 mm -72.82 102.68 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.17 -172.97 35.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.1 t -89.23 156.22 18.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.648 HD11 HD21 ' A' ' 58' ' ' LEU . 25.0 tp -57.7 -46.07 84.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -46.69 -40.09 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' GLN . . . -77.18 -56.9 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -37.49 -37.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE2' ' HG ' ' A' ' 40' ' ' LEU . 20.7 m-85 -56.94 -46.31 82.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 5.0 pt20 -56.65 -51.32 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' O ' HG11 ' A' ' 50' ' ' VAL . 6.7 tt0 -53.6 -17.84 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.1 -47.21 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.551 ' CZ ' ' HA3' ' A' ' 139' ' ' GLY . 0.9 OUTLIER -97.89 -68.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.536 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 7.2 m-85 -33.8 -34.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 46' ' ' GLU . 18.5 m -56.99 173.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HE2' ' NH2' ' A' ' 53' ' ' ARG . 13.9 mtpp -52.7 150.18 5.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -27.29 68.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' NH2' ' HE2' ' A' ' 51' ' ' LYS . 30.3 mtm105 -86.57 -42.11 13.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -80.99 12.94 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 27.2 mtt-85 -54.71 169.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 33.6 mtmt -165.27 174.83 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.725 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 79.4 mt -112.4 163.59 14.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.648 HD21 HD11 ' A' ' 40' ' ' LEU . 33.4 tp -108.36 154.87 21.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -148.15 106.88 3.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.6 mt -83.84 132.34 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.513 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 67.0 t80 -117.27 102.16 9.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 133' ' ' LEU . 45.6 mt -83.02 112.42 19.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -88.22 147.48 24.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.0 t-80 -157.85 124.68 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.79 -55.28 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 20.4 mt-10 -37.55 -49.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 t -52.73 159.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 69' ' ' LEU . 30.8 m -98.01 -41.23 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.166 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 68' ' ' VAL . 15.1 mt -61.01 -26.49 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 64' ' ' HIS . 97.2 m -60.62 -46.22 91.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -52.36 -57.38 9.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.72 HG23 ' H ' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -69.83 -69.04 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.72 ' H ' HG23 ' A' ' 72' ' ' VAL . 5.5 t80 -34.25 -32.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 72' ' ' VAL . 1.5 m -58.46 -61.66 2.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.417 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 88.2 p -96.38 1.04 51.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -97.93 -54.47 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.582 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -89.02 -72.86 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.513 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 94.0 mt -40.83 -22.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.1 m -80.77 16.82 1.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -89.68 103.36 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -51.05 -22.69 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.9 p -83.24 -44.54 14.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.491 ' O ' ' CB ' ' A' ' 87' ' ' LEU . 51.1 mm -69.4 -44.45 80.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.452 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 12.0 m -65.45 -18.29 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.3 p -92.8 -50.56 5.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.498 ' CE1' ' HB2' ' A' ' 90' ' ' ASN . 5.8 t80 -72.49 -29.85 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 83' ' ' ILE . 63.0 tp -62.53 -36.77 83.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.1 p -92.76 -41.0 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -61.15 -48.5 81.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.498 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 9.4 m-80 -93.06 -51.41 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.725 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.2 m-85 -100.19 178.15 4.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.7 mm -109.08 121.06 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.7 p -73.13 131.32 41.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.462 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 16.3 t90 -157.94 108.15 2.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.65 151.99 23.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CZ3' ' OE2' ' A' ' 13' ' ' GLU . 73.4 t-105 -149.82 104.85 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.5 107.99 4.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -113.3 9.4 18.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.2 m -45.24 -61.36 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.5 154.2 2.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.33 -44.03 97.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.7 m -53.43 -60.54 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 104' ' ' ARG . 55.9 m-80 -64.14 -44.47 92.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -34.35 -56.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.42 -35.39 60.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -50.33 -43.18 53.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.42 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 5.4 t80 -60.92 -45.9 92.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.6 mt -53.61 -36.1 61.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.0 m -59.13 -26.36 64.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 6.3 mtt -87.02 -51.03 6.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.498 ' SG ' ' CB ' ' A' ' 120' ' ' ALA . 12.2 p -51.36 -24.63 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 117' ' ' SER . 30.9 t30 -85.96 -59.34 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -36.49 56.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.496 ' CD2' HD23 ' A' ' 40' ' ' LEU . 88.2 m-70 -80.86 -68.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.481 ' CE1' HG12 ' A' ' 137' ' ' ILE . 5.7 m-85 -81.79 -66.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 150.33 178.88 25.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.428 ' N ' ' OD1' ' A' ' 112' ' ' ASN . 3.8 m -73.94 -52.81 11.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 117' ' ' SER . 88.0 t -36.79 -52.91 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.626 HG13 ' N ' ' A' ' 120' ' ' ALA . 8.0 p -76.24 -52.79 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.626 ' N ' HG13 ' A' ' 119' ' ' VAL . . . -39.38 -28.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 119' ' ' VAL . 51.6 tt0 -68.39 -50.04 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.2 t -37.72 -36.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.9 mt -77.23 -49.96 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -42.61 -35.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 71.7 p -76.46 -37.89 56.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.437 ' CB ' HD11 ' A' ' 133' ' ' LEU . 29.1 mm-40 -54.86 118.5 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -64.74 178.2 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.424 HG21 ' HB2' ' A' ' 66' ' ' GLU . 16.6 m -76.37 -46.06 29.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.9 -36.54 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -60.97 -42.0 97.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 17.7 m-85 -52.06 156.78 2.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.665 0.745 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.8 Cg_endo -69.74 148.81 87.44 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.367 -0.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.569 ' HB2' HD12 ' A' ' 62' ' ' LEU . 12.3 mt -98.38 106.66 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.459 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.3 t80 -95.61 107.4 19.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.89 167.29 9.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 48.1 mt -133.63 118.91 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.481 HG12 ' CE1' ' A' ' 115' ' ' PHE . 3.6 mp -112.89 148.25 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.533 ' HB2' HD11 ' A' ' 147' ' ' LEU . 2.9 ttt -91.39 -65.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 115.28 134.24 5.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 142' ' ' SER . 40.4 mttt -149.53 124.53 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.783 0.325 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.21 -25.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 140' ' ' LYS . 12.3 t -86.5 -66.45 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 5.5 m -156.62 123.33 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 144' ' ' ASN . 1.2 p30 -68.03 161.31 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.402 ' O ' HG23 ' A' ' 137' ' ' ILE . 0.3 OUTLIER -150.72 158.66 44.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 67.1 t -93.97 125.75 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 138' ' ' MET . 35.9 mt -86.21 -67.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -109.0 154.98 21.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 71.6 t -131.72 115.6 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.514 HG21 HG21 ' A' ' 154' ' ' THR . 55.8 mt -105.05 125.74 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -59.25 -57.07 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 149.87 -24.93 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -72.05 -1.99 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.514 HG21 HG21 ' A' ' 150' ' ' ILE . 13.3 t -59.79 159.85 8.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 20.5 p -107.6 153.26 23.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.561 ' HA ' HD12 ' A' ' 159' ' ' LEU . 66.2 t -42.37 -51.38 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -48.67 -51.56 27.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -58.18 -44.57 88.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 156' ' ' VAL . 36.8 mt -51.92 -46.19 64.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.443 ' CE ' HD13 ' A' ' 83' ' ' ILE . 8.5 mmt -50.36 -49.91 52.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.2 mtt -60.84 -58.77 7.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -43.81 -61.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.93 -54.84 41.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.6 mmm -42.86 -60.23 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 167' ' ' MET . . . -53.25 -64.49 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.702 ' HA ' HD12 ' A' ' 169' ' ' ILE . . . -34.82 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 165' ' ' ALA . 4.7 tmm? -70.06 -67.37 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 1.4 pp20? -50.71 -36.36 35.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 166' ' ' ALA . 92.9 mt -52.6 -39.89 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.414 ' CZ ' ' HD2' ' A' ' 55' ' ' ARG . 7.5 t80 -77.12 -58.48 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 8.8 m -44.14 -24.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -86.74 -51.32 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.491 ' HG3' ' N ' ' A' ' 174' ' ' GLN . 3.1 pt20 -53.87 -44.22 70.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.491 ' N ' ' HG3' ' A' ' 173' ' ' GLN . 16.0 pt20 -66.65 158.83 29.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -115.73 161.85 18.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -91.44 -45.31 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.63 -55.97 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.857 0.36 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -101.47 165.59 11.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.44 136.03 33.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -102.54 118.75 37.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -91.69 -52.73 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -68.12 -50.28 55.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -46.87 -58.93 5.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.438 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.73 -50.07 73.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.347 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.37 -42.8 43.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' LEU . 88.4 mt -65.46 -54.36 29.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' LEU . 27.8 mt -36.34 -54.93 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -55.22 -44.77 75.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' LEU . 42.0 t80 -62.93 -51.23 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.1 p -61.67 -64.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.42 -41.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -79.68 -37.81 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -59.33 -40.95 87.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -53.14 -54.85 29.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.2 t -73.14 -35.21 66.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -41.68 -63.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.566 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 5.1 m-85 -98.16 -42.56 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 159.04 146.8 4.66 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -41.27 -47.54 3.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.5 m -52.09 103.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -168.36 153.51 6.41 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.573 0.702 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 121.99 8.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 34' ' ' VAL . 13.9 p -56.79 114.55 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD1' HG22 ' A' ' 93' ' ' THR . 76.4 m-85 -88.42 135.3 33.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -64.29 118.71 9.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.4 mm -82.02 109.33 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.43 -155.54 26.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -94.17 143.41 26.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.832 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.733 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 11.9 tp -50.26 -50.82 48.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -42.08 -47.95 4.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . -54.55 -54.76 36.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.725 ' HB1' HD13 ' A' ' 58' ' ' LEU . . . -34.09 -36.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' ALA . 62.8 m-85 -67.5 -57.87 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.513 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 16.7 pt20 -61.0 -40.38 93.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 45' ' ' GLN . 4.0 tp10 -62.09 -8.26 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.57 -40.18 3.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 49' ' ' TYR . 19.8 m-85 -98.03 -70.5 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.513 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 7.5 m-85 -33.55 -40.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 54' ' ' ASP . 31.8 m -52.22 162.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -56.18 174.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.13 -33.02 71.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -71.47 -19.88 62.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.428 ' O ' HG21 ' A' ' 50' ' ' VAL . 10.8 t70 -110.01 17.77 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -64.25 134.5 54.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 9.2 mtmp? -153.86 177.94 10.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.476 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 85.7 mt -112.44 168.51 9.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.725 HD13 ' HB1' ' A' ' 43' ' ' ALA . 24.9 tp -107.49 140.15 40.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB3' HD11 ' A' ' 87' ' ' LEU . . . -133.19 110.18 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.2 mt -89.12 134.16 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.518 ' CE2' HD11 ' A' ' 78' ' ' LEU . 31.3 t80 -121.44 106.96 11.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.758 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 55.4 mt -84.61 118.72 24.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -101.77 136.63 41.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.541 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 1.6 t-80 -143.31 106.32 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 17.9 t0 -54.67 -61.27 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.541 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 31.7 mm-40 -33.99 -44.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 t -56.02 156.28 5.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.8 m -98.48 -29.0 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.4 mt -68.08 -42.06 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.0 m -48.74 -32.3 8.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -67.91 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.588 HG23 ' N ' ' A' ' 73' ' ' PHE . 16.4 m -62.42 -55.24 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.601 ' CE2' ' SD ' ' A' ' 77' ' ' MET . 9.1 t80 -43.53 -26.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.566 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 14.2 t -61.6 -60.16 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.3 p -94.52 -1.29 53.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -88.53 -56.12 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.678 ' HG2' HG22 ' A' ' 156' ' ' VAL . 11.8 mtt -111.3 -34.73 6.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.518 HD11 ' CE2' ' A' ' 61' ' ' TYR . 10.1 mt -79.25 16.15 1.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 26.7 p -99.62 -33.42 10.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -54.04 116.96 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' HA ' HG22 ' A' ' 84' ' ' VAL . 31.6 mt-10 -65.32 -41.74 93.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 t -56.58 -34.66 67.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 60.4 mt -80.71 -68.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 80' ' ' ALA . 29.1 m -43.45 -23.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.0 t -90.13 -50.88 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.508 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 2.2 t80 -58.59 -42.32 87.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.892 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 91' ' ' PHE . 16.2 tp -59.1 -36.6 75.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 80.5 p -82.63 -35.72 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -71.99 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 5.3 m-80 -74.85 -51.57 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.491 ' HB2' HD12 ' A' ' 87' ' ' LEU . 3.9 m-85 -100.05 178.4 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.413 HD11 ' NZ ' ' A' ' 56' ' ' LYS . 35.0 mm -109.68 109.6 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.545 HG22 ' CD1' ' A' ' 35' ' ' PHE . 24.0 m -75.29 131.13 40.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.733 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 62.3 t90 -147.16 125.66 12.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.542 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -115.39 153.4 31.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.066 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.525 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 76.1 t-105 -149.25 102.59 3.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 4.3 p-10 -68.44 105.15 2.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 104' ' ' ARG . 2.0 pt? -110.8 17.63 20.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.9 m -49.69 -47.56 50.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -66.99 127.99 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.47 -47.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.3 m -49.69 -57.39 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.444 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 33.9 m120 -60.56 -51.45 69.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.626 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.4 ttt180 -43.14 -45.78 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.1 -47.93 80.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -50.1 -57.16 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.758 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 72.0 t80 -49.84 -45.28 50.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.409 ' HA ' ' SG ' ' A' ' 111' ' ' CYS . 11.1 mt -70.6 -24.47 62.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 52.5 m -79.63 -35.35 39.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 113' ' ' ARG . 23.8 ptm -80.64 -50.28 10.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 108' ' ' LEU . 22.9 p -38.95 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' MET . 17.2 t-20 -75.44 -41.72 55.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 110' ' ' MET . 13.2 mmt180 -76.19 -37.92 57.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -78.07 -69.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -78.18 -68.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 144.81 -173.87 25.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.3 t -75.42 -55.18 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.397 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.531 HG23 HG23 ' A' ' 119' ' ' VAL . 23.9 m -40.05 -41.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.531 HG23 HG23 ' A' ' 118' ' ' VAL . 95.5 t -82.95 -59.22 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 119' ' ' VAL . . . -34.21 -37.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 119' ' ' VAL . 12.7 tm0? -58.04 -50.28 73.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 119' ' ' VAL . 1.2 t -46.09 -28.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.471 HD13 ' HE2' ' A' ' 107' ' ' PHE . 62.6 mt -90.26 -47.25 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.8 ttp85 -42.86 -39.81 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 77.4 p -71.39 -40.24 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.513 ' OE1' ' NE2' ' A' ' 151' ' ' GLN . 23.7 mm-40 -52.05 128.4 24.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.432 ' H ' ' CG ' ' A' ' 130' ' ' GLN . 5.6 mmmm -90.86 178.14 6.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.4 HG23 ' NE2' ' A' ' 64' ' ' HIS . 95.0 m -58.13 -48.51 80.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.127 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.8 OUTLIER -55.86 -50.88 69.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.432 ' CG ' ' H ' ' A' ' 127' ' ' LYS . 5.9 mm100 -36.42 -45.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.536 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 80.1 m-85 -52.39 154.63 4.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.7 Cg_endo -69.75 -177.08 13.76 Favored 'Cis proline' 0 C--O 1.232 0.208 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.336 -0.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.508 ' HB2' HD12 ' A' ' 62' ' ' LEU . 12.3 mt -134.68 108.23 7.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -93.77 109.54 21.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.55 154.06 28.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.2 mt -114.93 111.53 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.736 HD13 HG12 ' A' ' 146' ' ' VAL . 13.9 mm -92.28 133.66 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.51 ' HE3' ' HA ' ' A' ' 170' ' ' PHE . 1.8 tmt? -157.89 122.98 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 154.65 -149.67 21.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -99.81 177.49 5.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 142' ' ' SER . 0.0 OUTLIER -58.86 -29.63 67.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 141' ' ' ARG . 58.0 p -109.6 -35.89 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 9.1 t -79.14 11.24 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -52.37 113.88 1.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -144.15 135.41 25.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.736 HG12 HD13 ' A' ' 137' ' ' ILE . 3.2 m -72.35 120.7 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 56.6 mt -73.33 -34.25 65.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -142.95 152.2 41.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 100.0 t -130.73 114.17 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 20.3 mt -99.64 123.28 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.513 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 7.8 mm-40 -62.48 -63.34 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 161.99 -23.81 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.435 ' C ' ' OD1' ' A' ' 153' ' ' ASN . 5.6 p30 -81.74 15.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 15.2 t -65.99 172.34 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 41.8 p -105.03 143.08 33.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.68 ' HA ' HD12 ' A' ' 159' ' ' LEU . 59.4 t -46.57 -51.49 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -54.03 -44.84 71.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -55.95 -47.02 78.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.68 HD12 ' HA ' ' A' ' 156' ' ' VAL . 26.9 mt -45.33 -55.87 5.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 1.6 mmt -50.33 -48.77 55.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 10.2 mtm -60.77 -46.69 89.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -49.73 -54.45 18.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.29 -60.62 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 23.6 mmm -43.88 -53.37 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 166' ' ' ALA . . . -55.91 -60.66 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.63 -36.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 165' ' ' ALA . 82.2 mmm -67.89 -68.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 8.8 pt-20 -48.48 -41.01 28.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.468 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 78.7 mt -60.49 -52.23 63.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.538 ' CZ ' ' HG3' ' A' ' 174' ' ' GLN . 11.8 t80 -40.3 -61.77 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.5 m -41.87 -51.24 4.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -63.1 -48.38 78.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -53.55 -47.53 69.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 170' ' ' PHE . 54.0 mm-40 -62.8 147.56 49.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -52.67 152.0 4.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -122.54 110.55 15.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -55.05 -54.02 48.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 49.7 mm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.854 0.359 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -114.78 169.23 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.35 107.04 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 mp0 -69.79 105.64 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -52.91 -50.84 63.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -69.01 -43.79 74.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' ASP . . . -39.68 -71.02 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.9 m-20 -35.33 -52.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.84 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.65 -56.91 13.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 17' ' ' LEU . 32.1 mt -55.45 -43.21 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 mt -49.74 -44.28 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -61.94 -48.24 81.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.53 -44.95 96.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -63.61 -42.2 98.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.22 -51.86 58.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 53.0 mm-40 -64.17 -47.21 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD2' ' CD1' ' A' ' 28' ' ' TYR . 2.7 t80 -57.63 -46.21 84.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.3 t -43.51 -57.03 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -71.78 -49.55 37.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 23' ' ' GLU . 17.8 mtt85 -42.47 -57.9 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.539 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 40.5 m-85 -92.37 -65.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 174.83 165.81 31.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.01 -36.35 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.309 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.1 m -63.24 107.14 1.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -167.36 155.1 8.5 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.595 0.712 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.786 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.3 Cg_endo -69.82 132.29 22.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.627 2.218 . . . . 0.0 112.371 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.0 t -57.98 102.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.692 ' CD1' HG22 ' A' ' 93' ' ' THR . 78.4 m-85 -78.12 123.36 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -62.72 110.47 1.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -71.84 102.23 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.35 -164.41 37.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 83.1 p -93.14 162.67 13.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.8 -41.58 57.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -71.92 -49.07 40.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.53 -48.77 27.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.16 -49.12 76.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.641 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 10.2 m-85 -46.94 -33.81 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 83.6 mt-30 -64.86 -58.98 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.55 -16.87 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.7 -50.39 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.603 ' CZ ' ' O ' ' A' ' 139' ' ' GLY . 7.2 m-85 -97.98 -65.18 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.477 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 4.7 m-85 -33.07 -38.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.792 HG21 ' O ' ' A' ' 54' ' ' ASP . 13.9 m -52.2 178.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.139 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -77.87 148.89 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' N ' ' HG3' ' A' ' 51' ' ' LYS . . . -39.48 -42.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -69.05 -33.87 74.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.792 ' O ' HG21 ' A' ' 50' ' ' VAL . 1.0 OUTLIER -95.68 18.06 13.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 37.5 mtp85 -67.27 149.44 50.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HE3' HD11 ' A' ' 92' ' ' ILE . 27.3 mtmt -162.08 175.56 11.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.937 HD22 ' HA ' ' A' ' 138' ' ' MET . 80.5 mt -114.09 154.06 28.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.641 HD23 ' CZ ' ' A' ' 44' ' ' PHE . 12.0 tp -106.47 153.38 22.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' N ' ' HG ' ' A' ' 58' ' ' LEU . . . -148.28 112.84 5.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 137' ' ' ILE . 5.2 mp -84.13 124.71 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -107.32 102.22 11.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.763 HD12 ' HB2' ' A' ' 133' ' ' LEU . 84.7 mt -67.37 135.33 53.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -125.52 115.46 20.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.462 ' HB2' ' CG ' ' A' ' 131' ' ' PHE . 12.4 t-80 -118.18 102.73 9.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -50.87 -55.91 14.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 12.5 mt-10 -38.3 -37.21 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.43 ' HA ' HG22 ' A' ' 128' ' ' THR . 44.7 t -65.53 158.21 27.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -98.1 -22.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 30.7 mt -77.61 -10.58 59.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.49 -63.56 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.505 ' ND2' HG13 ' A' ' 72' ' ' VAL . 1.3 p-10 -44.28 -48.02 9.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.634 HG23 ' H ' ' A' ' 73' ' ' PHE . 13.0 m -70.39 -56.94 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.634 ' H ' HG23 ' A' ' 72' ' ' VAL . 11.7 t80 -53.39 -15.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.505 ' CB ' ' CE2' ' A' ' 28' ' ' TYR . 14.8 m -77.68 -54.04 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.416 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 57.5 p -95.77 -3.59 45.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' VAL . 45.0 mm-40 -101.06 -49.23 4.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.588 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.45 -69.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 10.5 mt -41.43 -23.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -81.93 17.96 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -81.84 102.11 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.21 -37.22 82.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.5 m -68.35 -31.66 71.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.484 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 81.6 mt -81.97 -68.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 85' ' ' SER . 29.3 m -37.29 -41.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 84' ' ' VAL . 56.4 p -60.37 -55.28 35.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -72.08 -59.41 2.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' PHE . 14.9 tp -42.32 -32.13 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.7 t -90.32 -35.62 15.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -69.85 -57.82 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -81.74 -45.92 14.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.475 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.3 m-85 -104.87 175.85 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.478 HD11 ' HE3' ' A' ' 56' ' ' LYS . 51.3 mm -109.45 123.76 65.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.786 HG21 ' HB2' ' A' ' 33' ' ' PRO . 18.3 m -78.71 117.64 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -142.72 116.29 9.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -115.66 156.41 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -144.36 139.3 28.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.4 122.52 38.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.662 HD11 HD22 ' A' ' 62' ' ' LEU . 5.4 mp -100.85 -21.82 15.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' LEU . 15.5 m -33.05 -44.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -70.06 118.88 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -51.11 -58.33 6.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 p -46.49 -33.94 4.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 106' ' ' ARG . 1.9 m-80 -77.93 -50.5 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 103' ' ' ASN . 12.2 ttp180 -33.92 -53.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.22 -45.19 91.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ASN . 47.1 mtp85 -47.36 -68.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.54 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 90.7 t80 -40.86 -54.27 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 40.9 mt -55.45 -41.49 72.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.3 m -70.94 -65.34 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.403 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 9.0 ptt? -49.04 -43.27 40.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 107' ' ' PHE . 16.1 m -52.28 -60.32 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.42 ' HA ' ' CA ' ' A' ' 116' ' ' GLY . 1.5 t30 -38.94 -40.06 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -43.84 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 111' ' ' CYS . 16.4 m170 -95.92 -67.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.752 ' CB ' HG11 ' A' ' 119' ' ' VAL . 1.8 m-85 -65.91 -68.42 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.42 ' CA ' ' HA ' ' A' ' 112' ' ' ASN . . . 143.14 -176.55 22.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.0 p -79.28 -48.85 13.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.7 t -48.98 -54.58 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.752 HG11 ' CB ' ' A' ' 115' ' ' PHE . 5.0 p -59.95 -47.92 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.489 ' N ' HG13 ' A' ' 119' ' ' VAL . . . -54.18 -57.37 11.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -38.51 -57.73 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.9 m -46.24 -41.72 13.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.8 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -29.53 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.7 p -81.44 4.91 19.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -84.55 109.4 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -53.2 170.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.43 HG22 ' HA ' ' A' ' 67' ' ' SER . 36.3 m -61.02 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.4 OUTLIER -37.52 -50.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' ASP . 29.4 mm100 -36.84 -54.55 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.537 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 80.4 m-85 -52.23 154.77 3.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.742 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.0 Cg_endo -69.79 -177.19 14.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.329 0.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.763 ' HB2' HD12 ' A' ' 62' ' ' LEU . 77.9 mt -143.04 104.84 4.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -90.93 119.19 30.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.02 146.55 40.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 57.0 mt -114.96 127.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.446 HD13 HD12 ' A' ' 60' ' ' ILE . 5.0 mp -122.07 134.96 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.937 ' HA ' HD22 ' A' ' 57' ' ' LEU . 4.3 ptt? -116.81 -32.36 5.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.603 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . . . -46.47 174.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 143' ' ' SER . 7.2 mtmp? -105.91 178.28 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.784 0.326 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 142' ' ' SER . 26.2 ptt-85 -44.33 -46.84 9.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 1.5 t -64.4 -65.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 140' ' ' LYS . 19.9 m -105.32 122.92 46.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -130.62 135.92 48.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -156.37 144.02 19.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 146' ' ' VAL . 2.9 m -79.62 120.13 30.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 147' ' ' LEU . 2.5 mm? -72.78 -35.94 67.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -146.8 152.21 38.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 92.3 t -131.17 106.38 12.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.883 HD13 HD23 ' A' ' 159' ' ' LEU . 19.9 mt -92.1 139.88 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -77.69 -51.84 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 138.95 -25.3 2.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -75.38 0.8 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.958 0.408 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.3 t -73.87 171.23 13.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.167 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 67.4 p -87.76 136.89 32.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.558 ' HA ' HD12 ' A' ' 159' ' ' LEU . 12.8 p -42.36 -33.28 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.32 -43.18 78.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -54.44 -45.0 72.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.883 HD23 HD13 ' A' ' 150' ' ' ILE . 23.3 mt -47.59 -46.61 28.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 33.5 tpp -48.66 -58.04 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 162' ' ' ARG . 10.4 mtt -51.18 -56.63 11.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.693 ' HG3' HD11 ' A' ' 150' ' ' ILE . 11.9 mmp_? -36.58 -51.85 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 23.5 mt -57.5 -55.54 33.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.5 mmt -51.04 -50.56 58.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -42.85 -49.41 5.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.21 67.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 55.4 mmm -71.77 -56.36 5.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.641 ' O ' HG22 ' A' ' 171' ' ' THR . 9.2 mm-40 -47.47 -40.97 19.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 69.8 mt -77.21 -50.81 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 170' ' ' PHE . 2.1 t80 -44.45 -52.73 7.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 168' ' ' GLU . 4.3 t -51.73 -27.98 13.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.183 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -90.32 -36.56 14.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.543 ' HG2' ' HE3' ' A' ' 138' ' ' MET . 0.1 OUTLIER -61.78 -42.4 98.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -59.0 161.02 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -100.51 130.68 46.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -70.99 -56.18 6.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -53.62 -61.3 2.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 18.5 mm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 -179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -115.27 172.62 6.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.53 164.36 15.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -81.5 15.55 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' GLU . 68.2 m-20 -57.1 -57.38 12.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -34.75 -49.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.87 -63.85 1.38 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -39.99 -58.49 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.1 -48.26 22.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.12 -53.89 46.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 mt -40.33 -40.99 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.67 -43.91 83.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 1.1 t80 -67.23 -42.85 83.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.2 p -57.57 -53.85 53.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -60.6 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 20' ' ' PHE . 22.3 pt-20 -52.73 -41.45 64.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.1 t80 -63.3 -45.68 90.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 t -47.12 -51.26 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -76.62 -46.67 25.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -47.65 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 52.7 m-85 -90.43 -67.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.05 -167.79 40.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -101.24 0.78 38.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' O ' HG11 ' A' ' 84' ' ' VAL . 10.4 m -81.8 18.0 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -94.32 153.43 40.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.841 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.3 Cg_endo -69.77 139.7 40.84 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.658 2.238 . . . . 0.0 112.327 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.94 114.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 95' ' ' ALA . 73.7 m-85 -85.19 140.16 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 6.9 t80 -73.96 120.52 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 mm -81.35 115.45 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 147.35 -157.74 27.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.0 t -97.09 152.48 18.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.821 HD23 ' CD2' ' A' ' 114' ' ' HIS . 66.1 tp -51.86 -45.46 64.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -42.43 -48.75 5.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -65.01 -55.03 21.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -36.09 -29.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' ALA . 34.0 m-85 -71.53 -57.24 4.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CA ' ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -54.9 -38.28 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -63.21 -12.64 29.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -96.91 -57.34 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' VAL . 9.3 m-85 -94.45 -70.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.47 ' HB2' ' CA ' ' A' ' 45' ' ' GLN . 25.9 m-85 -34.74 -32.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.513 HG22 ' H ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -52.08 170.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.513 ' H ' HG22 ' A' ' 50' ' ' VAL . 23.0 tttp -52.36 149.31 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.5 -42.78 74.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -76.79 -38.33 54.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.472 ' O ' HG11 ' A' ' 50' ' ' VAL . 2.2 m-20 -83.06 17.39 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 15.7 mtm180 -58.65 143.07 47.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -147.21 174.79 11.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.954 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.788 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 98.3 mt -112.93 170.52 8.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.483 HD22 ' CD1' ' A' ' 44' ' ' PHE . 16.7 tp -119.51 138.47 53.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.57 114.6 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.456 HG12 HD13 ' A' ' 137' ' ' ILE . 26.5 mm -79.62 138.64 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -132.67 124.88 29.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.782 HD11 HD13 ' A' ' 123' ' ' ILE . 42.0 mt -102.84 117.3 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -98.0 136.07 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 7.4 t-80 -143.5 118.75 10.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -63.2 -53.88 46.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 12.9 mm-40 -44.23 -47.5 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -58.45 117.32 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -62.26 -30.29 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD13 ' C ' ' A' ' 152' ' ' GLY . 13.4 mt -58.35 -43.78 88.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.5 m -56.22 -43.37 78.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -46.11 -58.32 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.641 HG23 ' N ' ' A' ' 73' ' ' PHE . 29.7 m -75.46 -54.47 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.641 ' N ' HG23 ' A' ' 72' ' ' VAL . 6.2 t80 -38.93 -29.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.57 ' SG ' ' CE2' ' A' ' 28' ' ' TYR . 2.4 m -67.55 -51.19 53.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.472 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 17.0 m -95.34 -1.24 51.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 72' ' ' VAL . 90.6 mm-40 -105.59 -47.48 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.599 ' HB2' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -97.99 -51.51 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 68.3 mt -77.54 17.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 75' ' ' SER . 10.3 p -103.23 -34.08 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -56.62 102.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -56.17 -40.32 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 m -62.97 -44.42 96.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 45.1 mt -68.27 -64.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 31' ' ' CYS . 20.8 m -44.23 -33.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.0 m -78.05 -44.37 26.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -62.25 -43.69 98.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 91' ' ' PHE . 6.3 tp -64.87 -51.89 59.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 99.4 p -61.99 -43.88 97.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.1 -61.32 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -75.45 -62.27 1.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.788 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -86.33 176.67 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.0 mm -111.01 105.42 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.539 HG21 ' HB2' ' A' ' 33' ' ' PRO . 22.1 m -69.73 124.54 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.563 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 7.7 t90 -142.51 108.4 5.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -100.47 156.76 17.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -154.03 112.83 3.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -79.04 108.93 12.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.513 HD22 HD22 ' A' ' 62' ' ' LEU . 1.8 pt? -109.35 17.37 21.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 59.8 m -49.31 -65.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.33 146.9 27.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 102' ' ' SER . 20.0 p-10 -52.71 -54.17 37.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 101' ' ' ASP . 10.7 t -35.59 -62.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' ARG . 28.3 m-20 -67.97 -44.46 76.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ASN . 32.5 ttt85 -35.68 -59.86 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.97 -51.98 41.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -38.42 -58.42 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.448 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 18.0 t80 -49.13 -52.32 26.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.7 mt -57.6 -44.92 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.8 m -57.65 -53.69 55.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 11.9 ptp -64.12 -36.5 84.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 110' ' ' MET . 4.1 t -53.07 -39.77 63.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 117' ' ' SER . 39.8 t-20 -62.89 -33.16 74.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -82.45 -56.54 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.821 ' CD2' HD23 ' A' ' 40' ' ' LEU . 29.2 m-70 -54.44 -68.41 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.572 ' CE1' HG12 ' A' ' 137' ' ' ILE . 18.6 m-85 -94.18 -68.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.414 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 161.62 160.12 10.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.507 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.464 ' HB3' ' ND2' ' A' ' 112' ' ' ASN . 27.1 p -54.07 -46.87 72.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 110.878 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.4 t -42.4 -55.56 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.3 t -54.6 -57.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -44.17 -54.84 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.044 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -49.35 -41.3 38.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 39.4 m -52.25 -40.73 62.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.782 HD13 HD11 ' A' ' 62' ' ' LEU . 78.3 mt -81.26 -42.28 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -57.7 -40.33 79.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.4 t -70.07 -28.77 65.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -63.28 150.91 42.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -80.66 163.86 23.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 42.2 m -59.64 -54.51 45.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.4 OUTLIER -50.03 -49.93 49.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 129' ' ' ASP . 67.3 mm-40 -34.16 -43.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.52 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 41.6 m-85 -52.09 156.28 2.79 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.638 0.733 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.6 Cg_endo -69.75 -177.27 14.16 Favored 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.72 -1.784 . . . . 0.0 112.353 -0.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.676 ' HB2' HD12 ' A' ' 62' ' ' LEU . 19.3 mt -133.62 108.72 8.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -96.22 110.23 22.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.5 mp -112.39 153.35 27.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.472 HD12 ' HB2' ' A' ' 148' ' ' ASN . 62.2 mt -124.43 122.27 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 137' ' ' ILE . 3.9 mp -107.88 137.31 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.465 ' SD ' ' CD2' ' A' ' 57' ' ' LEU . 6.1 tpt -142.56 135.51 28.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 48' ' ' PHE . . . 141.43 -161.59 26.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -104.32 153.23 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.88 -45.67 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.5 t -64.39 -59.05 4.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 5.2 m -108.0 107.36 18.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -142.39 152.88 43.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -167.97 159.99 11.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.58 114.95 18.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 138' ' ' MET . 10.3 mp -80.21 -61.46 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . 0.472 ' HB2' HD12 ' A' ' 136' ' ' ILE . 29.9 m120 -106.94 143.31 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 98.2 t -127.7 104.86 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.51 ' CG2' HG21 ' A' ' 154' ' ' THR . 65.3 mt -100.08 133.99 41.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -94.75 159.16 15.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.547 ' C ' HD13 ' A' ' 69' ' ' LEU . . . -59.87 -22.07 56.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -81.5 17.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.934 0.397 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.51 HG21 ' CG2' ' A' ' 150' ' ' ILE . 7.6 t -85.74 169.74 13.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 30.4 p -99.56 141.86 31.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.42 -30.39 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.9 -53.95 18.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -43.39 -46.44 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 86.8 mt -41.69 -66.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.406 ' HA ' HD12 ' A' ' 163' ' ' LEU . 15.3 ttm -44.69 -57.56 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 26.6 mtm -50.5 -61.54 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -43.56 -50.85 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 160' ' ' MET . 84.9 mt -48.43 -59.42 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 53.5 mtp -47.19 -56.63 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -44.94 -60.54 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -42.87 -43.34 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 30.4 mtp -58.71 -41.0 85.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.756 ' O ' HG22 ' A' ' 171' ' ' THR . 14.9 mt-10 -59.23 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 172' ' ' ALA . 76.0 mt -39.83 -52.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -39.43 -59.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 168' ' ' GLU . 1.4 t -56.05 -28.1 56.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 169' ' ' ILE . . . -77.13 -44.38 30.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -54.73 -40.94 69.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -53.74 146.93 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -92.72 -8.91 42.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.99 102.26 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.95 -52.97 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 29.2 mm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -112.17 124.5 52.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.05 144.72 47.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -109.14 13.54 24.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -145.1 103.4 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 27.3 tt0 -73.61 -54.13 8.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -37.67 -61.8 1.04 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.875 ' HA ' HD12 ' A' ' 18' ' ' LEU . 7.1 m-20 -47.72 -48.29 29.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 13' ' ' GLU . . . -45.01 -44.49 10.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.68 -43.34 63.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.875 HD12 ' HA ' ' A' ' 15' ' ' ASP . 10.2 mt -46.49 -46.09 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -58.27 -60.7 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -50.95 -60.05 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -38.88 -56.8 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -48.27 76.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -56.89 -62.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -46.2 -54.69 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.6 t -37.5 -64.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.9 t -63.81 -47.13 82.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -40.29 -62.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.599 ' CE2' ' SG ' ' A' ' 74' ' ' CYS . 14.6 m-85 -92.51 -63.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -179.02 165.74 34.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.46 -44.11 96.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.4 p -53.16 114.92 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' ND1' ' C ' ' A' ' 32' ' ' HIS . 2.7 p80 -167.79 152.99 6.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.449 ' HD3' ' CG1' ' A' ' 84' ' ' VAL . 53.6 Cg_endo -69.79 134.45 27.94 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.13 109.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.434 ' CD1' HG22 ' A' ' 93' ' ' THR . 70.1 m-85 -88.18 125.65 34.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.411 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 7.6 t80 -69.65 120.12 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.7 mm -82.11 106.69 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.17 -154.9 25.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.1 m -103.33 148.47 25.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 94' ' ' TRP . 40.3 tp -46.54 -40.43 12.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 5.6 mm-40 -63.75 -40.1 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.68 43.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.63 -49.42 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 41' ' ' GLU . 23.7 m-85 -41.59 -42.23 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.502 ' C ' ' H ' ' A' ' 47' ' ' ALA . 30.9 mt-30 -59.47 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' C ' HG13 ' A' ' 50' ' ' VAL . 1.1 tp10 -58.45 -1.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 45' ' ' GLN . . . -93.92 -50.87 5.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.517 ' CE2' ' O ' ' A' ' 138' ' ' MET . 3.8 m-85 -117.96 -33.64 4.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 3.7 m-85 -69.02 -0.11 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.977 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.763 HG23 ' H ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -64.83 -72.64 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.113 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.763 ' H ' HG23 ' A' ' 50' ' ' VAL . 66.5 mmtt -153.37 143.43 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.02 -26.03 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -102.89 -37.25 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.479 ' CB ' ' HB2' ' A' ' 51' ' ' LYS . 5.2 t70 -80.93 12.69 3.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -57.5 108.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 33.8 mtmt -109.47 176.57 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.777 HD22 ' HA ' ' A' ' 138' ' ' MET . 13.8 mt -111.94 163.56 14.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.948 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 59' ' ' ALA . 15.0 tp -107.97 154.53 21.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.635 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -136.24 105.88 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.467 HG12 ' CG1' ' A' ' 137' ' ' ILE . 41.6 mm -69.06 136.82 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.16 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.502 ' CE2' HD11 ' A' ' 78' ' ' LEU . 40.3 t80 -133.55 102.35 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD11 ' CE2' ' A' ' 107' ' ' PHE . 96.5 mt -84.01 116.81 23.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -92.58 134.61 34.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 2.8 t-80 -139.39 110.09 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' GLU . 10.4 t70 -62.84 -60.06 4.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.495 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 51.3 mm-40 -34.39 -45.77 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 t -52.45 140.09 23.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 m -84.92 -34.31 8.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 70' ' ' THR . 14.1 mt -65.62 -48.54 71.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 69' ' ' LEU . 88.7 m -32.05 -40.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.171 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 69' ' ' LEU . 80.1 m-20 -50.94 -65.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' GLN . 33.8 m -72.14 -38.93 64.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 5.5 t80 -43.61 -56.41 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 28' ' ' TYR . 25.2 p -77.47 -43.34 32.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.403 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 9.1 t -62.44 -17.8 60.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 72' ' ' VAL . 36.3 mm-40 -109.45 -37.86 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.405 ' SD ' HD11 ' A' ' 159' ' ' LEU . 35.0 mtt -94.02 -70.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.502 HD11 ' CE2' ' A' ' 61' ' ' TYR . 15.0 mt -50.03 -24.87 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.3 m -78.12 -30.1 49.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.405 ' O ' HG13 ' A' ' 84' ' ' VAL . . . -59.47 125.46 23.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 84' ' ' VAL . 36.1 mt-10 -69.81 -58.14 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.473 ' O ' ' HE1' ' A' ' 160' ' ' MET . 4.6 m -45.38 -23.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.451 HG13 ' CG2' ' A' ' 156' ' ' VAL . 28.7 mm -85.43 -65.14 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 81' ' ' GLU . 14.0 m -53.14 -24.67 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.6 p -71.48 -56.1 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.657 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 53.2 t80 -68.7 -47.04 67.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.923 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.9 tp -59.93 -33.58 72.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 84' ' ' VAL . 35.7 t -84.7 -38.22 20.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -76.49 -61.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.657 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 2.5 m-80 -69.11 -47.43 65.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 167' ' ' MET . 3.2 m-85 -106.59 175.41 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.8 mm -109.11 114.22 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.434 HG22 ' CD1' ' A' ' 35' ' ' PHE . 62.0 m -71.31 126.71 30.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 40' ' ' LEU . 76.1 t90 -146.66 112.28 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.47 157.69 17.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -147.42 125.05 11.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -83.8 105.35 14.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -113.01 10.05 18.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 64.4 m -54.91 -51.15 66.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 101' ' ' ASP . 31.3 mtmt -65.74 127.81 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 100' ' ' LYS . 0.6 OUTLIER -36.57 -61.01 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 61.4 m -40.61 -55.49 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -61.79 -49.56 75.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.6 ttm180 -43.7 -50.86 7.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.17 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -50.6 -63.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.625 ' CE2' HD11 ' A' ' 62' ' ' LEU . 66.9 t80 -51.97 -41.86 62.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.409 ' HA ' ' SG ' ' A' ' 111' ' ' CYS . 16.4 mt -71.55 -18.71 62.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.8 m -89.06 -40.39 13.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.28 -30.46 54.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 108' ' ' LEU . 19.9 p -59.75 -30.8 69.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -60.77 -39.06 87.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 114' ' ' HIS . 37.9 mtm180 -94.85 -66.11 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 113' ' ' ARG . 20.0 m170 -33.13 -65.59 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -92.83 -63.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 156.79 -169.95 34.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 55.5 m -85.55 -48.86 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.9 t -41.66 -65.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 120' ' ' ALA . 11.3 m -57.2 -40.15 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 123' ' ' ILE . . . -53.6 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 120' ' ' ALA . 52.2 tt0 -34.89 -55.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 34.4 m -53.76 -40.49 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 120' ' ' ALA . 39.4 mm -62.79 -24.61 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.5 ttt85 -82.44 -29.5 30.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 76.7 p -92.24 15.91 12.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.562 ' OE1' HD21 ' A' ' 133' ' ' LEU . 28.1 mm-40 -86.86 129.09 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -81.83 162.3 22.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 43.1 m -59.52 -55.97 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -48.81 -48.99 41.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -41.4 -48.69 3.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.517 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 33.5 m-85 -52.19 157.75 2.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.67 0.748 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.9 Cg_endo -69.76 -178.03 15.84 Favored 'Cis proline' 0 C--O 1.232 0.215 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.339 -0.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.562 HD21 ' OE1' ' A' ' 126' ' ' GLN . 46.1 mt -130.86 104.92 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.635 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 7.5 t80 -95.65 118.11 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.631 HD23 HG11 ' A' ' 146' ' ' VAL . 5.6 mp -117.79 146.21 43.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 95.2 mt -100.88 112.46 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.467 ' CG1' HG12 ' A' ' 60' ' ' ILE . 10.8 mm -92.17 135.46 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.777 ' HA ' HD22 ' A' ' 57' ' ' LEU . 5.0 ttp -96.65 -40.85 8.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.467 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 90.98 118.81 2.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 141' ' ' ARG . 10.6 ttpp -135.71 127.13 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 140' ' ' LYS . 2.4 mmp_? -36.02 -41.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.8 t -72.62 -67.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.2 m -152.55 146.83 25.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -68.15 152.65 45.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -151.08 146.63 26.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.631 HG11 HD23 ' A' ' 135' ' ' LEU . 4.3 m -89.8 127.2 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 138' ' ' MET . 64.1 mt -82.13 -32.2 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -150.54 152.06 33.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 86.1 t -121.54 122.15 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.403 HG21 HG21 ' A' ' 154' ' ' THR . 22.5 mt -111.05 138.99 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -88.3 177.56 6.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 73' ' ' PHE . . . -77.74 -21.92 70.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 153' ' ' ASN . 24.5 t-20 -82.61 16.43 2.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.511 HG21 HD21 ' A' ' 159' ' ' LEU . 6.4 t -80.54 160.7 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 74.8 p -91.4 133.35 35.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 157' ' ' ASP . 7.8 p -40.77 -48.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.543 ' N ' HG13 ' A' ' 156' ' ' VAL . 1.3 m-20 -54.69 -54.25 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -41.88 -44.84 3.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.511 HD21 HG21 ' A' ' 154' ' ' THR . 54.4 mt -52.75 -62.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.473 ' HE1' ' O ' ' A' ' 82' ' ' SER . 34.5 tpp -42.18 -43.17 3.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 8.9 mtt -69.41 -61.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -46.01 -37.86 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 32.6 mt -71.1 -68.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 165' ' ' ALA . 5.0 ptp -43.81 -34.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.566 ' O ' HD12 ' A' ' 169' ' ' ILE . . . -58.8 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 165' ' ' ALA . . . -34.47 -40.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 91' ' ' PHE . 12.5 mmm -70.3 -50.08 43.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 165' ' ' ALA . 5.1 mt-10 -57.43 -43.93 84.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 165' ' ' ALA . 5.1 mp -72.68 -49.21 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.585 ' CE2' ' NE2' ' A' ' 174' ' ' GLN . 50.9 t80 -38.61 -63.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 34.9 p -39.29 -55.53 1.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.84 97.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.59 -64.75 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.585 ' NE2' ' CE2' ' A' ' 170' ' ' PHE . 10.1 pt20 -54.81 155.2 4.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . 0.526 ' O ' ' CG ' ' A' ' 176' ' ' GLU . 3.5 pm0 -99.36 17.08 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 175' ' ' GLN . 3.7 pt-20 51.08 32.06 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.2 -51.58 57.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -78.18 -54.42 6.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.96 138.22 36.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.082 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -67.99 175.53 3.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' GLU . 2.4 p30 -111.49 130.62 55.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 39' ' ' SER . 44.6 mt-10 -37.39 -44.79 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -37.13 -66.4 0.52 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.37 -44.72 2.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.65 62.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 18' ' ' LEU . 96.1 mt -57.43 -56.38 22.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' LEU . 8.8 mt -34.27 -44.23 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -64.19 -50.27 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.8 t80 -67.66 -58.57 4.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.429 HG23 ' CD2' ' A' ' 35' ' ' PHE . 19.3 m -48.35 -51.69 25.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.18 -54.21 11.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' PHE . 23.9 mt-10 -67.42 -62.52 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 t80 -37.26 -40.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -62.46 -52.84 61.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -72.96 -58.8 3.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.559 ' HD2' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -39.19 -37.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD2' ' HD2' ' A' ' 27' ' ' ARG . 22.4 m-85 -94.43 -64.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 164.58 153.47 7.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 1.0 OUTLIER -46.51 -39.46 10.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.846 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.2 m -63.81 105.17 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.461 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 34.0 p80 -167.75 152.08 6.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HG3' HD22 ' A' ' 78' ' ' LEU . 53.4 Cg_endo -69.79 140.69 43.19 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 34' ' ' VAL . 7.4 p -59.67 117.72 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.429 ' CD2' HG23 ' A' ' 21' ' ' THR . 94.0 m-85 -92.76 134.17 35.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -78.32 120.74 23.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.95 114.5 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.09 -154.01 25.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.416 ' CB ' ' OE1' ' A' ' 13' ' ' GLU . 20.0 m -101.29 160.47 14.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 37.0 tp -53.65 -45.41 70.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 38.1 mt-10 -53.14 -47.93 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.55 -52.23 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' ALA . . . -40.9 -44.31 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 41' ' ' GLU . 24.9 m-85 -47.68 -40.85 21.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -64.01 -31.42 72.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.609 ' HA ' HG13 ' A' ' 50' ' ' VAL . 6.7 tp10 -107.76 9.22 29.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' ALA . . . -98.0 -66.28 0.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -110.3 -37.74 5.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 3.0 m-85 -51.13 -30.44 16.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' ' 46' ' ' GLU . 19.7 m -55.46 174.36 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -58.72 171.55 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.48 -37.38 71.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -76.17 -31.82 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.51 9.81 30.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -53.3 146.22 12.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -151.54 173.28 14.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 55.1 mt -112.4 161.57 16.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.1 tp -106.82 129.27 54.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.22 111.38 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.445 ' CD1' HG13 ' A' ' 137' ' ' ILE . 5.2 mp -77.3 133.98 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -118.71 106.08 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.725 HD22 HD22 ' A' ' 98' ' ' LEU . 64.1 mt -83.28 122.18 28.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -102.51 126.18 49.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 13.9 t-80 -130.74 114.93 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.1 t70 -61.99 -61.33 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 76.0 mt-10 -35.26 -46.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 t -61.01 143.85 54.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -88.39 -38.89 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 71' ' ' ASN . 12.6 mt -49.64 -47.09 50.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 69' ' ' LEU . 54.1 m -32.92 -33.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 69' ' ' LEU . 26.4 t-20 -72.14 -65.58 0.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.564 HG23 ' N ' ' A' ' 73' ' ' PHE . 32.9 m -61.78 -47.83 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' N ' HG23 ' A' ' 72' ' ' VAL . 3.2 t80 -40.46 -53.63 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.422 ' HB3' HD12 ' A' ' 78' ' ' LEU . 27.4 p -78.13 -48.99 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.486 ' C ' ' HB3' ' A' ' 79' ' ' CYS . 4.9 m -60.81 -13.58 16.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 72' ' ' VAL . 78.2 mm-40 -110.55 -39.28 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.52 ' HA ' HG22 ' A' ' 156' ' ' VAL . 30.8 mtt -97.89 -58.37 2.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.422 HD12 ' HB3' ' A' ' 74' ' ' CYS . 90.8 mt -74.37 12.45 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.486 ' HB3' ' C ' ' A' ' 75' ' ' SER . 1.8 p -97.93 -26.81 14.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.528 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -77.27 131.1 38.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 84' ' ' VAL . 1.8 pm0 -66.78 -29.44 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 81' ' ' GLU . 40.2 m -69.67 -49.22 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.459 HG13 HG13 ' A' ' 156' ' ' VAL . 50.6 mm -63.42 -48.3 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 80' ' ' ALA . 35.6 m -63.0 -40.25 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 84' ' ' VAL . 5.7 m -69.57 -48.98 58.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.614 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 2.0 t80 -64.73 -44.58 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 91' ' ' PHE . 11.0 tp -63.73 -41.51 98.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 p -73.4 -38.44 65.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -75.05 -61.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.614 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 9.7 m-80 -65.98 -48.67 70.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 57' ' ' LEU . 1.9 m-85 -108.68 175.13 5.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 33.1 mm -104.27 116.39 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.6 m -77.16 109.58 11.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.513 ' CH2' ' HB2' ' A' ' 40' ' ' LEU . 58.5 t90 -141.21 111.67 6.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.83 167.16 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -151.76 104.71 3.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.09 104.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.725 HD22 HD22 ' A' ' 62' ' ' LEU . 1.7 pt? -110.41 17.79 20.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.3 m -47.0 -48.02 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.6 151.97 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 102' ' ' SER . 40.3 m-20 -58.67 -58.06 10.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 101' ' ' ASP . 23.4 t -36.59 -53.13 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -71.17 -41.92 69.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -46.01 -55.19 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.99 -38.15 75.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' ' CG ' ' A' ' 110' ' ' MET . 12.1 ttm180 -50.49 -41.13 52.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -69.43 -44.26 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.39 -50.61 72.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.9 m -61.07 -65.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.408 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 3.8 ppp? -46.4 -37.85 8.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.7 m -65.12 -60.49 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.431 ' HA ' ' C ' ' A' ' 116' ' ' GLY . 3.0 t30 -42.23 -29.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -74.31 -49.93 20.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -77.51 -65.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -75.98 -68.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.431 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 148.96 160.98 9.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 37.7 t -58.61 -44.69 89.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 31.4 m -44.91 -32.63 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.8 t -81.12 -45.59 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.54 -53.05 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 122' ' ' THR . 6.1 tm0? -48.0 -51.03 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.48 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 36.9 m -45.74 -53.49 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.45 -43.85 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -57.6 -33.07 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 46.7 p -81.61 15.16 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -106.62 159.38 16.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -85.74 169.81 13.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 21.6 m -68.45 -55.42 11.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.3 OUTLIER -48.09 -47.8 34.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.827 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 129' ' ' ASP . 24.5 mt-30 -33.82 -44.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.516 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 14.0 m-85 -54.75 157.05 5.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.628 0.728 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 73' ' ' PHE . 54.0 Cg_endo -69.76 177.97 27.04 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.35 0.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 151' ' ' GLN . 14.9 mt -128.01 110.42 12.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -95.69 119.37 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 135' ' ' LEU . 2.7 mp -125.48 133.06 52.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 37.2 mt -93.28 107.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.613 ' CD1' HG22 ' A' ' 146' ' ' VAL . 21.0 mm -102.73 102.03 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.425 ' O ' ' O ' ' A' ' 139' ' ' GLY . 21.3 ttp -98.1 -44.07 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.49 ' HA3' ' HA ' ' A' ' 144' ' ' ASN . . . 38.54 -160.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 139' ' ' GLY . 33.1 mtmt -151.64 157.59 42.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.31 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -40.62 -37.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.1 t -73.34 -72.91 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 64.9 m -129.8 152.86 48.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.49 ' HA ' ' HA3' ' A' ' 139' ' ' GLY . 80.6 m-20 -102.77 159.43 15.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -163.23 171.59 16.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.613 HG22 ' CD1' ' A' ' 137' ' ' ILE . 96.9 t -106.1 133.61 50.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 33.4 mt -97.91 -67.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . 0.651 ' ND2' HH11 ' A' ' 162' ' ' ARG . 36.0 m-20 -118.35 149.75 40.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 85.4 t -132.26 110.34 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 41.3 mt -96.67 117.65 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.448 ' O ' HD23 ' A' ' 133' ' ' LEU . 24.0 mt-30 -49.63 -68.88 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 163.1 -22.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -80.86 13.95 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.7 t -67.09 176.73 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 76.4 p -123.28 149.21 45.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 77' ' ' MET . 60.8 t -40.31 -50.91 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -51.04 -42.71 60.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -61.46 -39.86 92.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.405 HD11 ' SD ' ' A' ' 77' ' ' MET . 88.2 mt -60.0 -48.04 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' A' ' 160' ' ' MET . 6.2 mmt -47.54 -62.04 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -44.18 92.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.651 HH11 ' ND2' ' A' ' 148' ' ' ASN . 19.5 mmt180 -50.31 -45.22 54.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 35.6 mt -75.18 -45.86 37.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 8.5 mmt -51.61 -57.72 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -47.5 -54.56 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -54.12 -60.52 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.24 -46.05 5.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.02 -61.03 2.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 90.8 mt -39.79 -47.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 170' ' ' PHE . 5.4 t80 -44.64 -60.58 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 9.1 m -41.14 -43.01 2.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.84 73.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -61.45 -57.75 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -58.75 143.58 46.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -99.73 15.27 27.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -101.38 105.14 16.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -89.75 -53.13 4.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 74.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.455 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 1.7 pm0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.861 0.363 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.455 ' N ' ' HG2' ' A' ' 8' ' ' GLU . 4.1 m120 52.88 40.7 31.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.1 106.85 6.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -120.49 114.28 21.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -41.74 -64.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -39.86 -44.3 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.05 -63.16 4.45 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.599 ' HA ' HD12 ' A' ' 18' ' ' LEU . 52.3 m-20 -62.3 -47.1 85.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.55 -48.79 48.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' LEU . 30.2 mt -61.63 -54.21 45.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 15' ' ' ASP . 11.1 mt -33.56 -45.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.3 -56.06 17.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -54.23 -50.75 66.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.6 p -58.37 -45.45 88.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.53 -57.43 11.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 24' ' ' PHE . 14.2 pt-20 -56.18 -42.88 77.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 t80 -58.3 -44.48 88.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 29' ' ' GLY . 12.8 t -48.27 -64.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -66.13 -49.3 67.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.3 mtt180 -39.62 -58.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -90.71 -64.34 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' SER . . . -175.15 147.63 9.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -51.17 -45.1 61.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 66.1 m -62.71 114.58 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -167.54 154.54 7.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HG3' HD22 ' A' ' 78' ' ' LEU . 53.7 Cg_endo -69.75 132.1 22.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 34' ' ' VAL . 10.5 p -56.17 120.83 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -95.64 122.29 38.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.12 117.41 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.5 mm -79.7 109.26 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.05 -146.09 12.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.505 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -117.45 143.44 46.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.627 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 20.9 tp -43.71 -41.54 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -46.41 -53.33 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.94 88.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.31 -45.3 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -53.43 -40.16 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -68.56 -54.72 14.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' C ' ' HB ' ' A' ' 50' ' ' VAL . 15.7 tp10 -64.87 -3.68 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.93 -61.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 50' ' ' VAL . 34.7 m-85 -98.03 -49.44 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -76.57 17.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 51' ' ' LYS . 12.8 p -78.76 -45.48 25.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.519 ' N ' HG13 ' A' ' 50' ' ' VAL . 46.6 mmtt -149.29 178.0 9.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.37 -34.07 12.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -115.5 -24.44 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 51' ' ' LYS . 2.1 m-20 -89.14 17.98 5.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 29.2 mtt180 -52.09 111.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 90' ' ' ASN . 24.5 mtmm -95.66 178.73 5.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.681 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 25.0 mt -111.92 150.59 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.7 tp -104.91 152.78 22.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.7 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -148.18 118.17 7.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.18 141.43 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 132' ' ' PRO . 46.0 t80 -131.5 105.06 7.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.514 ' HB3' HD22 ' A' ' 98' ' ' LEU . 35.9 mt -85.74 113.14 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -87.27 135.78 33.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 5.1 t-80 -140.18 123.56 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.823 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' GLU . 6.7 t0 -72.39 -61.33 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.547 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.5 mt-10 -33.7 -45.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.4 t -52.96 156.11 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.1 m -103.7 -27.33 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.18 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 12.7 mt -74.79 -17.66 60.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' VAL . 39.9 m -75.92 -65.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 70' ' ' THR . 0.5 OUTLIER -34.31 -33.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 73' ' ' PHE . 34.5 m -96.01 -44.23 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 18.1 t80 -65.6 -10.91 39.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 32.0 p -93.28 -38.16 11.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 m -98.01 -15.36 20.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' VAL . 26.3 mm-40 -98.56 -57.58 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.572 ' SD ' HG22 ' A' ' 156' ' ' VAL . 0.0 OUTLIER -79.67 -71.21 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.544 HD22 ' HG3' ' A' ' 33' ' ' PRO . 11.1 mt -41.57 -24.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -82.51 17.98 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -78.76 102.17 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -51.92 -36.72 49.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -70.17 -40.35 74.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 55.8 mt -73.76 -67.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ILE . 17.4 m -36.93 -30.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 83' ' ' ILE . 28.5 t -79.59 -54.8 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 2.8 t80 -71.21 -56.18 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 91' ' ' PHE . 17.1 tp -43.96 -32.16 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.0 m -92.49 -44.6 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -65.92 -60.04 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 86' ' ' TYR . 5.2 m-80 -76.38 -46.92 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.4 m-85 -104.6 170.55 7.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -103.66 113.42 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.2 m -80.06 127.83 32.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.627 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 72.9 t90 -150.59 114.84 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -108.07 159.7 16.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -149.75 123.25 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.66 104.24 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 62' ' ' LEU . 1.4 pt? -111.59 14.62 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 98' ' ' LEU . 54.5 m -37.34 -68.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -63.54 158.42 21.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -65.16 -50.49 65.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.2 m -39.22 -41.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -78.89 -55.2 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.4 ttp180 -39.8 -52.06 2.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -53.39 -57.27 11.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 105' ' ' ALA . 25.8 mtt-85 -37.74 -59.32 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.446 ' CZ ' ' SG ' ' A' ' 111' ' ' CYS . 90.9 t80 -46.43 -50.08 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.26 -43.53 87.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -62.8 -59.94 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.462 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 8.1 ptp -56.58 -37.19 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 110' ' ' MET . 34.3 m -65.84 -48.69 70.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -43.06 -35.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -91.11 -60.62 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -48.07 -62.3 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -90.92 -65.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 155.42 176.2 27.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.5 m -76.97 -30.2 55.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 110.798 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.1 t -53.61 -58.76 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 120' ' ' ALA . 5.0 m -56.18 -40.27 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.423 ' N ' HG23 ' A' ' 119' ' ' VAL . . . -51.71 -60.06 3.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' ALA . 14.3 tm0? -37.7 -59.93 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.9 m -48.68 -45.12 38.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 49.0 mm -56.94 -37.48 54.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 -64.29 -46.36 83.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 71.9 p -66.49 -41.72 88.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.577 ' HB3' HD11 ' A' ' 133' ' ' LEU . 47.0 mm-40 -52.75 104.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -64.54 172.95 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 129' ' ' ASP . 49.2 m -58.63 -59.37 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' THR . 0.7 OUTLIER -35.55 -54.94 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 129' ' ' ASP . 30.7 mm-40 -37.23 -45.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 39.1 m-85 -54.85 155.81 7.59 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.587 ' HB2' ' CE1' ' A' ' 61' ' ' TYR . 53.9 Cg_endo -69.8 135.08 32.11 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.347 0.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 126' ' ' GLN . 20.6 mt -87.81 102.7 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.7 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -95.84 119.06 33.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 135' ' ' LEU . 4.0 mp -121.0 136.91 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 79.9 mt -98.8 119.36 46.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.437 ' CD1' HG22 ' A' ' 146' ' ' VAL . 42.1 mm -97.79 140.59 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.405 ' HB3' ' CD1' ' A' ' 147' ' ' LEU . 5.3 ttt -168.0 152.59 6.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 150.61 -160.48 28.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -89.76 150.15 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.321 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 142' ' ' SER . 0.1 OUTLIER -53.16 -26.89 18.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.424 ' N ' ' HG2' ' A' ' 141' ' ' ARG . 11.7 t -61.46 -48.16 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.9 m -157.08 122.12 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -87.28 164.48 16.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -154.91 157.07 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 137' ' ' ILE . 48.4 t -88.08 111.85 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 138' ' ' MET . 78.6 mt -76.27 -60.37 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -116.81 152.99 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 99.1 t -131.69 110.65 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.3 mt -100.08 120.38 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.1 -61.79 2.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 151.72 -20.02 0.89 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -82.07 14.04 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 13.8 t -80.35 168.12 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 46.8 p -89.96 144.56 25.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.572 HG22 ' SD ' ' A' ' 77' ' ' MET . 65.6 t -43.02 -51.93 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -49.56 -55.17 14.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -42.93 -52.6 5.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 156' ' ' VAL . 13.6 mt -51.77 -51.21 58.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.4 ' HA ' ' HE3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -51.68 -48.55 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 30.0 mtp -63.91 -54.06 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -40.27 -58.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 85.9 mt -49.31 -56.55 9.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 7.3 mmm -53.69 -41.77 67.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 168' ' ' GLU . . . -59.66 -39.55 84.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.9 81.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 168' ' ' GLU . 6.0 mmm -69.66 -67.64 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 10.9 pt-20 -37.56 -42.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.477 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 91.6 mt -68.67 -46.36 79.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 174' ' ' GLN . 50.7 t80 -48.86 -54.93 13.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 77.1 p -52.29 -41.09 62.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -68.36 -43.2 77.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.29 -48.85 76.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.582 ' HG3' ' CE1' ' A' ' 170' ' ' PHE . 62.5 mm-40 -58.13 144.03 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.57 -9.05 58.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -39.4 -48.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -38.89 -53.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 9' ' ' ASN . 2.3 pm0 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 8' ' ' GLU . 19.7 m120 -86.57 -58.19 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.97 138.14 40.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -138.85 157.75 45.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -85.12 -52.23 6.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 14' ' ' GLY . 35.0 mt-10 -80.78 -48.26 12.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.4 -59.04 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -45.2 95.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.842 0.354 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.2 -47.88 68.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 18' ' ' LEU . 99.1 mt -60.15 -57.82 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' HD12 ' A' ' 37' ' ' ILE . 12.0 mt -33.84 -56.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -51.81 -50.3 61.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.68 -57.14 13.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.6 p -50.57 -42.59 55.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.178 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.93 -62.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' PHE . 17.9 mm-40 -59.02 -61.14 2.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' GLU . 11.7 t80 -36.09 -58.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -39.8 -50.77 2.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -71.95 -43.54 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.4 mtt-85 -41.16 -57.24 2.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.422 ' CD2' ' SG ' ' A' ' 74' ' ' CYS . 23.1 m-85 -97.85 -63.34 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.92 151.79 10.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.555 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -50.01 -43.47 50.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.02 107.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -167.11 156.01 9.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.55 0.691 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.6 Cg_endo -69.72 129.29 17.37 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.369 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.8 t -53.55 102.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.455 ' CD1' HG22 ' A' ' 93' ' ' THR . 54.6 m-85 -78.11 130.73 36.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -70.44 129.2 38.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.459 HD12 ' HG ' ' A' ' 18' ' ' LEU . 23.5 mm -91.63 116.5 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 152.83 -148.58 19.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.3 m -110.48 148.72 31.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 10.0 tp -43.62 -44.54 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -43.85 -51.48 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.03 -18.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 58' ' ' LEU . 15.5 m-85 -87.84 -51.71 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.524 ' HB2' ' CG ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.23 -41.31 94.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 45' ' ' GLN . 17.2 tp10 -61.58 -7.6 3.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.426 ' C ' HG22 ' A' ' 50' ' ' VAL . . . -117.5 -37.97 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.069 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.575 ' CZ ' ' HA3' ' A' ' 139' ' ' GLY . 1.7 m-85 -97.6 -64.41 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CG ' ' HB2' ' A' ' 45' ' ' GLN . 4.8 m-85 -43.29 -37.51 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.961 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.791 HG23 ' H ' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -33.76 -76.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.148 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.791 ' H ' HG23 ' A' ' 50' ' ' VAL . 1.5 mmmp? -157.18 133.54 9.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.424 ' O ' ' NE ' ' A' ' 55' ' ' ARG . . . -50.65 -20.52 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -98.28 -46.72 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.08 17.9 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.424 ' NE ' ' O ' ' A' ' 52' ' ' ALA . 13.1 mtm180 -53.54 141.23 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -128.02 175.86 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.896 HD22 ' HA ' ' A' ' 138' ' ' MET . 28.9 mt -117.23 146.2 43.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 44' ' ' PHE . 17.2 tp -104.41 146.87 28.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.604 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -136.14 105.62 6.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.454 ' H ' HD12 ' A' ' 60' ' ' ILE . 5.0 mp -70.25 119.53 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.506 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 11.5 t80 -104.13 106.66 17.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.567 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 44.2 mt -84.53 119.82 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.941 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -99.31 113.17 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 4.9 t-80 -124.27 116.17 22.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 66' ' ' GLU . 6.0 t70 -63.17 -56.84 13.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 25.8 mt-10 -34.49 -39.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.2 t -61.46 150.7 34.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -92.33 -36.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.125 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 129' ' ' ASP . 25.2 mt -63.57 -46.58 85.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.478 ' CA ' ' HD3' ' A' ' 132' ' ' PRO . 34.1 m -46.36 -29.2 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -61.48 -65.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 76' ' ' GLN . 10.6 m -69.76 -46.31 74.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 4.6 t80 -54.31 -14.6 1.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 34.6 t -83.42 -48.51 10.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.426 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 97.5 p -97.37 -1.98 43.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 72' ' ' VAL . 54.9 mm-40 -105.3 -51.29 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.549 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -91.41 -68.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 61' ' ' TYR . 14.7 mt -44.0 -40.41 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.426 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.1 m -64.89 -32.16 73.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' MET . . . -52.06 113.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.612 ' HA ' HG22 ' A' ' 84' ' ' VAL . 3.9 mm-40 -63.86 -40.2 96.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 m -52.63 -26.75 14.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.401 ' C ' ' N ' ' A' ' 85' ' ' SER . 49.2 mm -90.53 -67.45 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.612 HG22 ' HA ' ' A' ' 81' ' ' GLU . 32.9 m -45.61 -20.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 83' ' ' ILE . 14.6 m -75.34 -59.35 2.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 13.8 t80 -70.9 -44.47 66.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' PHE . 17.5 tp -57.16 -35.17 69.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.0 t -86.8 -42.8 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -69.92 -61.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.563 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 10.0 m-80 -72.24 -48.93 39.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 2.8 m-85 -104.42 175.59 5.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.4 HG13 ' HB2' ' A' ' 47' ' ' ALA . 13.2 mm -109.81 109.23 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.598 HG21 ' HB2' ' A' ' 33' ' ' PRO . 48.3 m -71.19 131.9 44.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.505 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 4.8 t90 -148.0 126.43 12.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -115.17 143.35 45.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.089 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -143.3 102.79 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -66.86 109.05 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.0 pt? -116.08 16.62 16.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.0 m -47.38 -45.33 24.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -82.2 132.4 35.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -42.46 -44.09 3.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.5 m -40.63 -57.27 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -71.42 -45.15 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.96 -55.3 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.15 -53.18 56.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.9 mtp85 -46.91 -48.36 21.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.567 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 48.1 t80 -59.5 -36.11 75.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.671 ' CD2' ' HB1' ' A' ' 120' ' ' ALA . 28.8 mt -74.35 -35.06 63.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.3 m -67.64 -50.16 59.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 23.0 ptp -65.74 -43.27 89.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.679 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 t -66.42 -39.05 88.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -55.01 -33.36 62.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -94.39 -65.91 0.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -39.43 -67.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.562 ' CE1' HG12 ' A' ' 137' ' ' ILE . 26.5 m-85 -88.02 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.31 169.34 25.53 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.7 m -69.27 -52.28 29.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.0 t -42.31 -58.28 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.9 t -47.76 -65.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.679 ' HB2' ' SG ' ' A' ' 111' ' ' CYS . . . -47.71 -44.35 27.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -54.15 -44.46 71.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 26.2 m -50.12 -43.86 51.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.534 HG23 HD12 ' A' ' 133' ' ' LEU . 49.6 mt -70.62 -30.38 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.9 ttt-85 -71.39 -50.75 28.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.1 t -69.55 -24.62 63.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.424 ' CD ' ' HG3' ' A' ' 130' ' ' GLN . 6.7 mm100 -62.84 157.59 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -87.01 145.42 26.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 91.3 m -49.95 -38.7 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.476 ' O ' HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -51.04 -49.46 60.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.447 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 29.9 mm-40 -36.66 -46.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.533 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 61.5 m-85 -52.48 154.77 4.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.665 0.745 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.2 Cg_endo -69.67 132.1 21.14 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.349 -0.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 123' ' ' ILE . 12.8 mt -89.19 102.14 14.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.604 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.0 t80 -94.98 116.14 28.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 135' ' ' LEU . 4.7 mp -115.03 162.76 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.448 ' C ' HD12 ' A' ' 137' ' ' ILE . 38.8 mt -130.2 142.53 43.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 145' ' ' GLU . 4.7 mp -134.88 138.27 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.896 ' HA ' HD22 ' A' ' 57' ' ' LEU . 2.7 tmm? -78.63 -57.9 3.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.575 ' HA3' ' CZ ' ' A' ' 48' ' ' PHE . . . 102.45 106.89 3.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -127.05 128.98 47.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.885 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 140' ' ' LYS . 5.8 mmm180 -32.97 -47.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 22.8 t -58.12 -62.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.7 t -163.03 157.57 21.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.478 ' HB3' HG21 ' A' ' 137' ' ' ILE . 24.9 m-80 -86.08 148.75 25.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 137' ' ' ILE . 15.9 pt-20 -140.37 158.56 43.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.3 t -90.57 136.76 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.86 -66.72 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . 0.431 ' HB2' HD12 ' A' ' 136' ' ' ILE . 38.9 m-20 -122.16 144.48 48.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.0 108.89 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.532 HG21 HG21 ' A' ' 154' ' ' THR . 47.0 mt -103.51 125.05 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 132' ' ' PRO . 24.9 mp0 -54.72 -63.8 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 152.92 -23.36 0.8 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -81.25 10.61 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.532 HG21 HG21 ' A' ' 150' ' ' ILE . 12.9 t -70.99 165.67 22.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 156' ' ' VAL . 76.4 p -88.04 133.9 33.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 157' ' ' ASP . 10.9 p -36.17 -42.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.477 ' N ' HG13 ' A' ' 156' ' ' VAL . 9.4 t0 -60.34 -52.43 65.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -43.41 -40.19 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 43.3 mt -58.96 -45.33 90.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.78 -58.71 5.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.4 ptm -64.5 -49.75 70.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -43.72 -47.74 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.46 -48.98 79.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.9 mtm -51.65 -53.85 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -44.1 -54.32 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -48.09 -42.8 29.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 11.8 mtp -60.83 -57.38 12.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -54.74 -48.68 72.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 79.3 mt -57.24 -36.01 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.463 ' CZ ' ' NE2' ' A' ' 174' ' ' GLN . 1.9 t80 -63.97 -61.24 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -49.77 -40.84 42.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.195 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -73.58 -40.64 63.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.072 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.31 -41.03 65.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.463 ' NE2' ' CZ ' ' A' ' 170' ' ' PHE . 29.1 mt-30 -58.35 139.35 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -84.88 176.48 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 52.13 43.29 30.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -69.88 -46.74 64.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.419 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 3.1 pm0 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.59 168.02 20.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.88 41.49 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.084 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -92.6 16.07 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 59.17 42.11 19.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.45 -53.58 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.31 -50.49 40.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.57 -47.93 10.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.29 -44.89 88.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.19 -35.57 79.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.08 -39.69 82.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -73.09 -46.54 50.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -61.59 -40.97 96.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 p -66.38 -60.36 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.34 -50.84 28.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.05 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -64.16 -53.76 44.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CE1' ' CD1' ' A' ' 28' ' ' TYR . 63.6 t80 -45.72 -64.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 t -53.22 -42.95 66.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -51.88 -32.65 33.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 2.8 ttm180 -95.9 -63.42 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 24' ' ' PHE . 29.0 m-85 -56.44 -61.49 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.31 166.94 21.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.44 -49.18 72.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.9 m -52.34 111.77 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -167.25 153.63 7.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.608 ' HB2' HG21 ' A' ' 93' ' ' THR . 53.4 Cg_endo -69.75 126.69 13.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 96.9 t -53.16 102.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -74.62 134.35 42.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -74.15 110.66 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.6 mm -70.27 102.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.97 -173.02 44.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.3 t -89.71 151.33 21.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.969 0.414 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.525 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 54.2 tp -43.61 -33.33 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 41' ' ' GLU . 4.8 tp10 -76.42 -44.9 33.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.06 -36.73 75.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.45 82.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CE1' HD23 ' A' ' 58' ' ' LEU . 16.8 m-85 -47.71 -37.15 12.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.467 ' HG2' ' CG ' ' A' ' 49' ' ' TYR . 48.0 mt-30 -57.18 -60.52 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.01 -17.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.47 -57.25 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -97.0 -67.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.467 ' CG ' ' HG2' ' A' ' 45' ' ' GLN . 23.0 m-85 -37.94 -32.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.513 HG22 ' H ' ' A' ' 51' ' ' LYS . 4.5 p -51.94 167.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.17 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.513 ' H ' HG22 ' A' ' 50' ' ' VAL . 50.0 mmtt -53.3 163.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.428 ' HA ' ' NH1' ' A' ' 55' ' ' ARG . . . -65.16 -43.21 92.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -75.7 -39.75 56.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -79.53 12.27 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.798 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 59.6 mtm-85 -55.06 148.73 13.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -153.82 171.65 18.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.647 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 90.7 mt -113.38 153.0 29.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.462 HD23 ' CE1' ' A' ' 44' ' ' PHE . 31.0 tp -104.54 123.09 46.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.537 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -114.57 105.73 13.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.722 HG12 HD13 ' A' ' 137' ' ' ILE . 32.4 mm -70.12 139.17 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.501 ' CE2' HD11 ' A' ' 78' ' ' LEU . 1.8 t80 -134.66 115.74 14.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.735 HD21 ' CE2' ' A' ' 107' ' ' PHE . 74.6 mt -93.15 118.59 31.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -100.58 132.19 46.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.427 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 12.3 t-80 -136.64 108.2 6.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 66' ' ' GLU . 4.2 m-20 -53.32 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' ASP . 26.2 mt-10 -34.72 -41.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -58.08 147.97 27.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.46 -25.46 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.8 mt -70.38 -23.81 62.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.508 HG23 ' HD3' ' A' ' 132' ' ' PRO . 0.6 OUTLIER -62.34 -35.1 78.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.12 -48.08 71.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.591 HG23 ' N ' ' A' ' 73' ' ' PHE . 20.5 m -91.09 -53.34 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 1.7 t80 -43.05 -30.98 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.449 ' CB ' HD12 ' A' ' 78' ' ' LEU . 52.1 m -96.43 -14.42 22.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 72' ' ' VAL . 36.7 t -95.91 -18.65 20.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.806 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -110.0 -42.13 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.628 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 17.0 mtt -84.58 -61.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.501 HD11 ' CE2' ' A' ' 61' ' ' TYR . 34.9 mt -65.6 -42.01 92.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.464 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.6 m -81.31 17.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 76' ' ' GLN . . . -91.99 110.61 21.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.52 -28.85 65.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 60.5 p -74.57 -51.62 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.4 mm -59.73 -59.38 4.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 85' ' ' SER . 15.4 m -49.96 -42.21 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 84' ' ' VAL . 4.4 m -54.6 -43.14 71.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.631 ' CE1' ' CG ' ' A' ' 90' ' ' ASN . 14.1 t80 -89.22 -65.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 91' ' ' PHE . 11.1 tp -35.83 -40.6 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -79.19 -48.77 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.59 -61.44 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.631 ' CG ' ' CE1' ' A' ' 86' ' ' TYR . 9.0 m-80 -72.82 -61.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.647 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.4 m-85 -91.31 178.58 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mm -110.18 130.62 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.608 HG21 ' HB2' ' A' ' 33' ' ' PRO . 59.2 m -83.19 125.62 31.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.525 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 10.0 t90 -150.34 111.77 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.443 ' HB2' ' HD2' ' A' ' 61' ' ' TYR . . . -113.14 158.9 19.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.452 ' O ' HD12 ' A' ' 98' ' ' LEU . 67.8 t-105 -151.17 119.06 6.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 1.0 OUTLIER -78.41 131.33 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.851 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.462 HD21 HD22 ' A' ' 62' ' ' LEU . 4.6 mp -118.07 8.31 12.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.1 m -50.59 -43.31 56.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.44 ' HB2' ' ND2' ' A' ' 103' ' ' ASN . 34.2 mtmt -82.09 126.26 31.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.43 -55.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 m -42.46 -45.01 4.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 100' ' ' LYS . 74.8 m-20 -60.94 -56.31 22.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 103' ' ' ASN . 13.0 mtp180 -34.34 -62.33 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.62 -50.22 73.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -40.17 -67.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.735 ' CE2' HD21 ' A' ' 62' ' ' LEU . 20.2 t80 -52.2 -51.79 56.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.8 mt -43.06 -57.59 2.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 98.6 m -52.16 -47.68 65.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 18.1 mtm -56.87 -48.33 78.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 2.0 t -63.27 -45.31 92.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -49.49 -37.21 25.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -89.27 -66.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -40.98 -63.36 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 137' ' ' ILE . 17.1 m-85 -92.51 -66.21 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 165.4 155.59 8.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.521 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.9 t -61.11 -47.63 85.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.927 0.394 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 89.3 t -47.45 -52.28 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.6 -60.6 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.537 ' HB2' ' SG ' ' A' ' 111' ' ' CYS . . . -41.22 -57.42 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.494 ' O ' HG22 ' A' ' 125' ' ' THR . 14.0 tm0? -47.13 -46.2 22.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.8 m -45.81 -29.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.693 HD13 HD11 ' A' ' 62' ' ' LEU . 81.0 mt -87.72 -39.66 13.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 50.0 ttt-85 -62.47 -42.04 99.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 121' ' ' GLN . 5.6 t -68.13 -29.73 68.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -58.95 151.51 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -77.07 176.64 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 129' ' ' ASP . 84.8 m -76.44 -62.9 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.157 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 128' ' ' THR . 2.4 p-10 -37.32 -49.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.407 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 51.0 mm-40 -38.42 -45.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.505 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 12.0 m-85 -52.06 158.75 1.67 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.508 ' HD3' HG23 ' A' ' 70' ' ' THR . 54.2 Cg_endo -69.79 -178.46 16.82 Favored 'Cis proline' 0 C--O 1.232 0.216 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.375 0.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.414 ' CD1' HG23 ' A' ' 123' ' ' ILE . 36.1 mt -132.7 120.26 21.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.537 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 3.4 t80 -112.89 112.68 24.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 135' ' ' LEU . 3.3 mp -109.17 162.84 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 43.9 mt -129.91 108.89 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.173 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.722 HD13 HG12 ' A' ' 60' ' ' ILE . 3.3 mp -96.02 126.25 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.488 ' HE2' ' HA ' ' A' ' 170' ' ' PHE . 4.0 tmm? -144.16 125.18 14.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 172.14 -155.99 24.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -97.99 142.32 29.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.402 ' C ' ' HD3' ' A' ' 141' ' ' ARG . 2.0 tmt_? -38.74 -47.81 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 50.5 m -68.4 -49.37 60.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.2 m -111.89 112.5 24.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -130.4 147.94 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -163.48 157.1 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.49 122.17 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 9.9 mp -85.91 -56.39 3.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -111.43 146.24 37.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 94.8 t -131.56 113.81 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 47.1 mt -102.36 138.73 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.422 ' O ' ' O ' ' A' ' 132' ' ' PRO . 36.5 mt-30 -74.96 -56.84 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 149.93 -21.16 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -81.52 13.22 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 11.6 t -74.36 172.96 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 42.4 p -105.51 139.12 40.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 12.8 p -40.91 -34.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -65.49 -47.19 76.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -49.23 -43.84 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.486 HD11 ' SD ' ' A' ' 77' ' ' MET . 77.3 mt -47.27 -58.86 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 42.5 tpp -43.89 -48.14 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 17.8 mtt -63.93 -44.01 94.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -56.75 -41.18 77.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.83 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 59.0 mtp -46.07 -47.27 17.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -54.71 -47.17 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.0 75.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 14.6 mtp -70.45 -58.44 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 6.9 pt-20 -50.28 -34.53 23.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 59.8 mt -74.69 -49.65 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.488 ' HA ' ' HE2' ' A' ' 138' ' ' MET . 88.5 t80 -41.6 -63.57 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.73 HG23 ' H ' ' A' ' 172' ' ' ALA . 1.2 t -50.28 -62.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.73 ' H ' HG23 ' A' ' 171' ' ' THR . . . -41.14 -50.05 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -50.01 -55.88 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 171' ' ' THR . 10.0 pt20 -68.07 144.89 54.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -116.62 13.99 15.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -121.98 109.06 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -43.36 -54.94 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 24.2 mm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.903 0.382 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -84.42 -47.61 10.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.8 148.7 39.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -101.26 137.1 40.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -86.99 -54.66 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -46.9 -46.18 21.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -52.35 -62.12 6.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.76 -44.38 77.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.62 -45.9 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' PHE . 49.1 mt -67.85 -58.71 4.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.639 ' HG ' HD12 ' A' ' 37' ' ' ILE . 5.5 mt -34.31 -47.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -64.48 -43.98 92.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.6 t80 -63.13 -43.72 97.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.9 p -67.27 -64.65 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.098 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.12 -45.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -77.79 -42.92 32.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.486 ' CE1' ' CD2' ' A' ' 28' ' ' TYR . 83.2 t80 -37.76 -39.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 29' ' ' GLY . 2.3 p -72.99 -61.34 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -42.09 -34.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 28' ' ' TYR . 17.4 ptp180 -83.89 -49.47 8.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.486 ' CD2' ' CE1' ' A' ' 24' ' ' PHE . 31.4 m-85 -95.66 -67.68 0.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 172.47 152.68 8.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -51.86 -45.1 63.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 t -54.64 111.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -167.05 152.67 7.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.535 0.683 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 131.09 20.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -53.97 107.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -82.88 125.83 31.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -58.94 108.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.639 HD12 ' HG ' ' A' ' 18' ' ' LEU . 26.8 mm -73.36 103.17 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.98 -167.39 35.39 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 t -91.66 145.24 24.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.674 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 10.8 tp -45.79 -41.2 10.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -41.31 -50.84 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -68.01 -53.79 23.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.41 -24.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CE2' ' HG ' ' A' ' 40' ' ' LEU . 51.9 m-85 -74.34 -55.83 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.41 ' CG ' ' N ' ' A' ' 46' ' ' GLU . 4.6 pt20 -63.81 -42.64 97.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HA ' HG13 ' A' ' 50' ' ' VAL . 7.3 tt0 -62.91 -6.36 3.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.512 ' O ' ' CG2' ' A' ' 50' ' ' VAL . . . -97.93 -60.99 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.548 ' CE1' ' O ' ' A' ' 56' ' ' LYS . 32.8 m-85 -96.85 -65.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 50' ' ' VAL . 30.4 m-85 -35.76 -38.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -32.15 -73.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.176 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' HG2' ' C ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -156.47 132.8 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.445 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . . . -49.81 -15.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -97.87 -48.09 5.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -84.49 16.71 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 52' ' ' ALA . 36.2 mtt180 -55.79 102.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.548 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 65.7 mttm -94.08 179.02 5.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 138' ' ' MET . 69.8 mt -111.02 151.35 28.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.537 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 19.4 tp -104.84 140.43 38.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.678 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -140.43 109.15 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.5 mp -76.37 131.68 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CE1' ' CE1' ' A' ' 73' ' ' PHE . 39.3 t80 -118.88 103.41 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD22 HD11 ' A' ' 98' ' ' LEU . 52.2 mt -79.63 117.58 20.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -97.81 116.61 30.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.588 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 12.8 t-80 -117.54 103.27 9.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' GLU . 5.9 t0 -54.21 -59.39 4.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.53 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 27.3 mm-40 -34.01 -45.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.1 t -58.43 149.4 25.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.62 -22.3 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 12.7 mt -71.41 -21.18 62.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.968 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.428 HG23 ' HD3' ' A' ' 132' ' ' PRO . 0.7 OUTLIER -62.36 -50.29 72.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -43.11 -63.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 73' ' ' PHE . 19.2 m -70.11 -45.26 76.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CD2' ' CE ' ' A' ' 77' ' ' MET . 1.9 t80 -45.07 -52.03 9.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.529 ' CB ' HD12 ' A' ' 78' ' ' LEU . 28.2 p -78.0 -36.04 49.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.439 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 26.9 t -71.57 -15.69 62.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 72' ' ' VAL . 57.0 mm-40 -110.68 -37.91 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.694 ' CE ' ' CD2' ' A' ' 73' ' ' PHE . 29.6 mtt -91.72 -55.14 3.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.529 HD12 ' CB ' ' A' ' 74' ' ' CYS . 96.1 mt -76.94 16.98 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.3 m -112.27 -22.34 10.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.501 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . . . -69.37 129.14 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 82' ' ' SER . 14.4 pt-20 -65.72 -45.28 83.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 71.9 m -64.72 -41.21 96.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.633 HD13 ' CE ' ' A' ' 160' ' ' MET . 26.4 mm -62.44 -51.09 76.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.7 m -65.89 -35.29 74.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -68.77 -46.99 67.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 4.2 t80 -72.23 -52.2 17.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 tp -55.46 -31.37 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.5 p -85.82 -41.98 14.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.504 ' O ' ' CE ' ' A' ' 56' ' ' LYS . 13.3 mm-40 -75.42 -61.75 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.541 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 2.0 m-80 -66.61 -43.49 84.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 3.0 m-85 -114.1 171.69 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -101.12 114.94 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.2 m -73.75 125.83 28.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.674 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 32.0 t90 -151.69 103.61 2.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.44 150.83 22.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -142.76 136.7 29.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.89 125.47 41.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 62' ' ' LEU . 4.3 mp -115.27 3.29 14.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.9 m -42.82 -44.28 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -91.6 143.69 26.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -52.1 -58.91 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.3 m -37.29 -47.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -74.71 -47.44 31.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -53.24 -64.24 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.49 -47.61 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.4 mtp85 -48.76 -55.48 11.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -54.09 -46.23 72.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.09 -34.59 77.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.7 m -71.92 -49.48 37.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 5.2 ptm -70.99 -30.09 66.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 120' ' ' ALA . 6.4 t -76.56 -45.46 30.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -49.45 -34.06 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' HIS . 57.3 mtt180 -94.73 -68.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' ARG . 12.2 m170 -37.85 -61.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -89.64 -60.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.49 164.91 14.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 97.2 p -70.39 -45.38 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.389 . . . . 0.0 110.824 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.1 t -55.64 -44.8 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.1 t -60.36 -53.69 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 111' ' ' CYS . . . -57.93 -50.76 72.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -52.15 -45.84 65.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 88.8 m -53.03 -43.15 66.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 133' ' ' LEU . 94.1 mt -68.97 -36.88 76.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.65 96.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 23.9 p -66.43 -38.2 86.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -52.33 130.22 30.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -56.34 173.74 0.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 95.2 m -69.72 -60.47 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 130' ' ' GLN . 0.3 OUTLIER -40.12 -47.67 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 129' ' ' ASP . 24.2 mm-40 -33.81 -48.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 64' ' ' HIS . 17.2 m-85 -52.12 158.52 1.79 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.6 ' HG2' ' CE2' ' A' ' 73' ' ' PHE . 53.8 Cg_endo -69.71 167.69 70.0 Favored 'Cis proline' 0 C--O 1.232 0.188 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.366 0.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.598 ' CD1' HG23 ' A' ' 123' ' ' ILE . 12.8 mt -119.81 102.28 8.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.678 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 6.5 t80 -95.47 120.13 35.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.1 mp -113.21 167.53 10.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.408 ' C ' HD12 ' A' ' 137' ' ' ILE . 68.3 mt -133.93 139.99 47.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 136' ' ' ILE . 4.7 mp -140.02 134.02 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.681 ' HA ' HD22 ' A' ' 57' ' ' LEU . 13.9 ptt? -114.02 -35.2 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -52.3 174.67 0.19 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 144' ' ' ASN . 9.9 ptpp? -85.41 -179.84 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -45.38 -52.69 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 27.1 p -77.76 -51.27 10.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.443 ' H ' ' CG ' ' A' ' 140' ' ' LYS . 6.6 t -75.28 11.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.572 ' N ' ' O ' ' A' ' 140' ' ' LYS . 28.9 t-20 -54.77 122.39 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -145.13 147.92 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 74.6 t -80.39 117.07 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.542 HD21 ' SD ' ' A' ' 138' ' ' MET . 10.7 mp -78.09 -59.91 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -126.08 154.81 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 98.5 t -127.95 115.44 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 154' ' ' THR . 18.2 mt -100.94 117.91 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -54.62 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 158.77 -19.17 0.29 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -80.24 6.83 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.477 ' HB ' ' CG2' ' A' ' 150' ' ' ILE . 3.1 t -61.14 176.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 10.8 p -118.78 151.97 37.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 157' ' ' ASP . 10.6 p -48.04 -45.4 12.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.529 ' N ' HG13 ' A' ' 156' ' ' VAL . 24.0 m-20 -59.12 -45.76 90.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -51.11 -50.64 58.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 77' ' ' MET . 84.5 mt -39.63 -61.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.633 ' CE ' HD13 ' A' ' 83' ' ' ILE . 32.2 tpp -47.18 -48.19 23.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.2 mtt -59.63 -49.88 76.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -56.72 -46.32 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 31.8 mt -64.82 -56.41 13.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 5.6 mmt -46.0 -59.49 2.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -48.3 -45.21 34.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.622 ' HB1' HD13 ' A' ' 57' ' ' LEU . . . -54.4 -35.96 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 76.3 mmm -69.44 -62.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 9.0 pt-20 -50.69 -41.73 56.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.481 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 54.7 mt -66.95 -46.29 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.139 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.551 ' CE2' ' OE1' ' A' ' 174' ' ' GLN . 58.4 t80 -45.39 -66.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.725 HG23 ' H ' ' A' ' 172' ' ' ALA . 1.5 t -54.94 -61.03 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.725 ' H ' HG23 ' A' ' 171' ' ' THR . . . -44.67 -28.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -79.77 -68.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.551 ' OE1' ' CE2' ' A' ' 170' ' ' PHE . 6.1 pt20 -44.43 -37.53 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -78.11 130.99 37.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 52.21 38.26 24.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -68.86 -46.43 68.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.876 0.37 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -92.25 147.31 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.37 127.95 33.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -84.88 125.17 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -84.03 -48.41 9.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.473 ' OE2' ' CH2' ' A' ' 96' ' ' TRP . 0.9 OUTLIER -57.02 -48.47 78.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -40.75 -57.87 2.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' HA ' HD12 ' A' ' 18' ' ' LEU . 3.5 m-20 -49.43 -55.07 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.87 -53.65 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 17' ' ' LEU . 17.4 mt -59.21 -51.47 69.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.783 ' HG ' HD12 ' A' ' 37' ' ' ILE . 6.2 mt -38.13 -51.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -60.44 -64.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' HE2' ' CE2' ' A' ' 35' ' ' PHE . 3.7 t80 -45.3 -35.46 3.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -68.03 -67.19 0.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.97 -41.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 24' ' ' PHE . 68.5 mm-40 -75.97 -61.93 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 23' ' ' GLU . 53.1 t80 -36.31 -51.96 0.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.425 ' HB2' ' NE2' ' A' ' 32' ' ' HIS . 10.7 t -70.37 -53.14 17.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 t -56.55 -18.14 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -97.96 -63.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.833 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 27' ' ' ARG . 50.1 m-85 -66.4 -67.78 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.66 -168.67 41.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -103.03 -11.47 18.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.9 m -80.37 17.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.425 ' NE2' ' HB2' ' A' ' 25' ' ' SER . 0.5 OUTLIER -95.36 158.5 34.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 110.9 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.506 ' HG3' ' CD2' ' A' ' 78' ' ' LEU . 53.6 Cg_endo -69.75 104.02 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.3 t -52.74 105.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.536 ' HA ' HG22 ' A' ' 93' ' ' THR . 25.2 m-85 -63.99 154.8 33.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -91.14 120.38 32.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.783 HD12 ' HG ' ' A' ' 18' ' ' LEU . 32.2 mm -68.43 112.32 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 153.77 -172.89 32.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 p -92.09 168.56 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.084 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 20.4 tp -69.9 -48.88 56.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -48.99 -36.49 17.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' PHE . . . -74.05 -55.04 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.085 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -33.6 -36.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 40' ' ' LEU . 99.5 m-85 -60.77 -54.73 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' ALA . 10.7 pt20 -60.59 -23.92 65.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -78.95 -9.23 59.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.59 -36.93 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.069 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -97.81 -57.85 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -77.99 11.39 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -79.0 161.55 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -52.18 140.38 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.38 -36.34 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -78.28 -40.67 36.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.51 15.84 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 16.8 mtt180 -52.88 134.14 37.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.8 mttt -155.62 177.39 11.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.634 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 21.1 mt -112.06 168.52 9.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 37.5 tp -106.95 131.87 53.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.18 107.38 7.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.446 HD12 HD13 ' A' ' 137' ' ' ILE . 41.5 mt -90.72 136.57 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 134' ' ' PHE . 10.7 t80 -128.58 123.1 32.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.927 HD21 ' CZ ' ' A' ' 107' ' ' PHE . 88.9 mt -91.2 123.22 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -107.5 119.47 39.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 14.1 t-80 -127.33 117.01 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 66' ' ' GLU . 84.3 m-20 -62.2 -58.69 6.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 49.4 mt-10 -37.64 -42.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -52.74 146.53 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.437 HG23 ' N ' ' A' ' 69' ' ' LEU . 35.3 m -89.13 -41.35 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' N ' HG23 ' A' ' 68' ' ' VAL . 23.1 mt -61.03 -47.44 86.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.458 ' CA ' ' HD3' ' A' ' 132' ' ' PRO . 22.7 m -46.32 -41.89 13.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -49.78 -60.26 3.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG23 ' N ' ' A' ' 73' ' ' PHE . 29.8 m -71.25 -50.01 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' N ' HG23 ' A' ' 72' ' ' VAL . 12.1 t80 -53.98 -15.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.455 ' HA ' HD12 ' A' ' 78' ' ' LEU . 3.0 m -79.8 -53.35 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.434 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 18.7 m -92.54 -8.08 45.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.813 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' VAL . 51.5 mm-40 -98.37 -55.91 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -89.96 -70.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.506 ' CD2' ' HG3' ' A' ' 33' ' ' PRO . 11.3 mt -40.61 -23.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 77' ' ' MET . 1.2 m -81.64 17.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.659 ' CB ' HD12 ' A' ' 83' ' ' ILE . . . -82.15 102.01 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HA ' HG22 ' A' ' 84' ' ' VAL . 4.4 mp0 -58.72 -59.13 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 t -48.56 -33.51 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.659 HD12 ' CB ' ' A' ' 80' ' ' ALA . 69.0 mt -79.03 -71.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 80' ' ' ALA . 32.8 m -36.58 -32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 83' ' ' ILE . 37.9 m -70.57 -50.54 36.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.505 ' CD1' ' HB2' ' A' ' 90' ' ' ASN . 10.2 t80 -72.02 -48.51 44.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 91' ' ' PHE . 8.2 tp -57.69 -34.62 69.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 81.3 p -83.23 -41.97 17.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -74.06 -61.63 1.79 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.505 ' HB2' ' CD1' ' A' ' 86' ' ' TYR . 15.2 m-80 -68.18 -54.58 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.634 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 3.1 m-85 -98.92 174.53 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.3 mm -100.05 127.9 52.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.09 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' ' 35' ' ' PHE . 37.2 m -86.33 124.09 32.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.084 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 12.5 t90 -152.58 113.3 4.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.433 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -112.04 171.0 7.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.062 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.473 ' CH2' ' OE2' ' A' ' 13' ' ' GLU . 71.7 t-105 -157.69 123.36 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -86.11 123.42 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 104' ' ' ARG . 5.4 mp -113.01 10.3 18.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.2 m -50.19 -46.13 54.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -83.65 126.27 32.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -39.49 -42.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 t -53.41 -55.67 23.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -63.12 -45.5 91.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.678 ' HA ' HD23 ' A' ' 98' ' ' LEU . 8.7 tpt180 -39.1 -49.03 1.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 106' ' ' ARG . . . -67.07 -49.02 66.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 105' ' ' ALA . 47.9 mmt-85 -34.6 -59.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.927 ' CZ ' HD21 ' A' ' 62' ' ' LEU . 33.2 t80 -51.47 -45.4 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 105' ' ' ALA . 72.2 mt -62.41 -47.05 85.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.5 m -57.75 -56.2 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.437 ' O ' ' CD2' ' A' ' 114' ' ' HIS . 22.4 ptp -60.89 -40.03 91.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 4.8 m -66.52 -38.89 88.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 112' ' ' ASN . 0.5 OUTLIER -48.25 -37.22 15.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 113' ' ' ARG . 1.7 mmp_? -95.49 -53.22 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.496 ' CD2' HD23 ' A' ' 40' ' ' LEU . 52.8 m-70 -40.39 -68.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CE1' HG12 ' A' ' 137' ' ' ILE . 16.9 m-85 -95.96 -45.57 6.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 142.06 165.48 10.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.1 m -62.42 -49.34 75.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.8 m -48.63 -36.37 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.6 t -73.59 -55.99 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.08 -47.51 22.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -57.74 -43.75 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 33.0 m -43.93 -43.56 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 86.6 mt -77.05 -42.1 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -48.43 -39.6 23.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 73.4 p -68.01 -38.77 82.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.435 ' OE1' ' NE2' ' A' ' 130' ' ' GLN . 31.2 mm-40 -54.48 124.0 14.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -63.75 175.04 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 89.4 m -63.18 -54.24 40.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' GLN . 6.6 m-20 -43.88 -47.29 8.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.435 ' NE2' ' OE1' ' A' ' 126' ' ' GLN . 17.8 mm-40 -36.12 -47.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.529 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 64.4 m-85 -53.68 155.64 5.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.8 Cg_endo -69.67 -176.18 12.08 Favored 'Cis proline' 0 C--O 1.233 0.229 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.368 -0.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.2 mt -144.32 106.81 4.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 61' ' ' TYR . 3.4 t80 -101.71 115.53 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 135' ' ' LEU . 3.9 mp -115.15 158.56 22.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 83.6 mt -131.4 113.52 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.542 HG12 ' CE1' ' A' ' 115' ' ' PHE . 5.1 mp -105.78 104.34 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.582 ' H ' HD13 ' A' ' 147' ' ' LEU . 27.8 ttp -97.95 -58.89 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 138' ' ' MET . . . 34.07 -140.08 0.12 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.434 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -123.08 177.9 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.427 ' CD ' ' H ' ' A' ' 141' ' ' ARG . 1.5 mpt_? -44.97 -50.43 10.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 46.7 t -93.48 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.8 t -58.31 156.77 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -160.36 151.9 19.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -167.77 163.68 14.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.2 t -80.23 115.43 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.582 HD13 ' H ' ' A' ' 138' ' ' MET . 6.9 mp -89.24 -59.66 2.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -109.73 146.78 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.07 102.44 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.576 HD13 HD23 ' A' ' 159' ' ' LEU . 50.6 mt -98.35 138.4 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.434 HE22 ' NE2' ' A' ' 130' ' ' GLN . 11.8 mm-40 -92.53 -37.97 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 134.27 -29.6 3.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 0.9 OUTLIER -67.75 -2.88 7.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.902 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.1 t -65.13 165.41 11.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 156' ' ' VAL . 30.9 p -93.73 141.84 28.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.436 HG22 ' SD ' ' A' ' 77' ' ' MET . 88.7 t -36.86 -45.85 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 158' ' ' GLU . 3.5 t0 -61.75 -59.05 5.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 157' ' ' ASP . 7.3 mt-10 -38.04 -47.89 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.576 HD23 HD13 ' A' ' 150' ' ' ILE . 25.9 mt -45.65 -58.15 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 16.9 ttm -51.17 -54.59 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 162' ' ' ARG . 7.5 mtt -43.09 -60.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 161' ' ' MET . 10.9 mmp_? -36.41 -56.49 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 19.1 mt -56.87 -55.76 30.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 35.2 mtp -48.29 -38.96 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.5 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -69.42 -46.02 67.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -54.89 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 7.7 pt-20 -51.2 -33.24 26.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 84.6 mt -79.02 -37.76 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -55.61 -59.45 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.657 HG23 ' H ' ' A' ' 172' ' ' ALA . 2.9 t -50.42 -58.08 6.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.109 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.657 ' H ' HG23 ' A' ' 171' ' ' THR . . . -52.8 -45.66 67.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -57.54 -49.96 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -65.03 176.47 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -71.08 161.36 31.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -151.46 120.46 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -53.28 8.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 72.6 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.888 0.375 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -139.01 153.27 48.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.48 170.41 15.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -98.92 158.57 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.7 m-20 -84.33 14.24 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.555 ' OE1' ' CH2' ' A' ' 96' ' ' TRP . 0.7 OUTLIER -45.39 -42.84 10.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.49 -64.39 3.1 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -43.1 -45.94 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.95 -57.02 11.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.4 mt -49.3 -53.17 23.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mt -39.4 -48.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.7 -54.78 41.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -53.33 -48.28 68.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.1 m -53.89 -50.94 65.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 24' ' ' PHE . 8.1 pt-20 -52.54 -37.35 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.459 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 28.5 t80 -57.37 -39.04 75.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.7 t -45.09 -44.93 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.3 t -91.41 -40.34 11.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.547 ' HD2' ' CE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -39.08 -59.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.547 ' CE2' ' HD2' ' A' ' 27' ' ' ARG . 62.1 m-85 -116.67 -37.92 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.5 173.21 20.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.453 ' O ' ' CD2' ' A' ' 32' ' ' HIS . 2.2 m-20 -69.28 -37.32 77.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.311 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.7 m -52.04 103.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.453 ' CD2' ' O ' ' A' ' 30' ' ' ASP . 2.5 p80 -168.24 152.01 5.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.56 0.695 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.46 ' HD3' HG11 ' A' ' 84' ' ' VAL . 54.1 Cg_endo -69.76 136.37 32.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.368 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -52.04 102.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -75.72 129.21 36.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 5.8 t80 -71.85 127.79 33.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.6 mm -89.65 105.93 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.02 -171.64 33.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 40' ' ' LEU . 78.0 p -92.94 142.18 27.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.953 0.406 . . . . 0.0 110.857 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.628 HD11 HD21 ' A' ' 58' ' ' LEU . 13.5 tp -34.4 -41.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 40' ' ' LEU . 17.2 mt-10 -36.73 -51.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . -62.53 -56.1 21.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.091 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' ALA . . . -34.64 -37.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -61.99 -60.76 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.59 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 5.3 pt20 -53.74 -46.65 70.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' O ' HG11 ' A' ' 50' ' ' VAL . 17.2 tt0 -68.92 1.67 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -118.03 -32.2 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -117.97 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.59 ' CD1' ' HA ' ' A' ' 45' ' ' GLN . 3.0 m-85 -79.81 18.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 54' ' ' ASP . 34.4 m -93.52 171.87 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -53.61 140.44 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.34 -35.05 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -83.69 -33.46 25.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 50' ' ' VAL . 9.3 t0 -82.05 17.95 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -57.55 122.7 13.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -137.56 168.91 18.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 91' ' ' PHE . 56.9 mt -114.35 162.42 16.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.628 HD21 HD11 ' A' ' 40' ' ' LEU . 56.8 tp -104.41 140.11 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.61 105.13 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.25 134.57 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.469 ' CE2' HD11 ' A' ' 78' ' ' LEU . 7.4 t80 -127.08 108.1 10.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB3' HD13 ' A' ' 98' ' ' LEU . 24.0 mt -80.36 118.94 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -100.75 110.39 22.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 131' ' ' PHE . 13.4 t-80 -117.03 115.01 24.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' GLU . 1.3 m-20 -58.68 -60.19 4.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 65' ' ' ASP . 15.2 mt-10 -33.85 -44.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.2 t -52.25 159.66 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.2 m -106.0 -31.89 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.91 -24.43 65.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.8 m -68.82 -38.41 79.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -50.53 -45.8 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLN . 30.4 m -90.28 -39.52 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 17.0 t80 -64.25 -12.46 41.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 15.6 p -94.3 -37.16 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.434 ' C ' ' HB2' ' A' ' 79' ' ' CYS . 47.2 p -97.9 -11.51 23.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 18.5 mm-40 -102.6 -55.61 2.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.654 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -81.58 -67.12 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.474 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 14.1 mt -49.8 -56.78 9.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.434 ' HB2' ' C ' ' A' ' 75' ' ' SER . 1.2 m -55.35 -28.25 52.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 77' ' ' MET . . . -52.03 109.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.454 ' HA ' HG22 ' A' ' 84' ' ' VAL . 42.2 mm-40 -60.86 -50.39 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 m -47.81 -41.49 23.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.66 -70.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 78' ' ' LEU . 34.8 m -40.3 -38.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 t -56.25 -44.51 79.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.433 ' CE1' ' CB ' ' A' ' 90' ' ' ASN . 8.7 t80 -83.19 -44.58 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' PHE . 12.4 tp -59.44 -33.63 71.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.4 p -83.01 -43.53 16.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -70.74 -59.86 2.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.433 ' CB ' ' CE1' ' A' ' 86' ' ' TYR . 2.9 m-80 -69.84 -51.44 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 56.0 m-85 -105.44 178.18 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 37.0 mm -105.84 128.67 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.3 m -79.89 122.1 26.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.619 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 14.1 t90 -151.75 102.03 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.64 154.1 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.555 ' CH2' ' OE1' ' A' ' 13' ' ' GLU . 77.2 t-105 -141.19 134.52 29.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -91.54 125.43 36.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.553 HD13 ' HB3' ' A' ' 62' ' ' LEU . 5.0 mp -117.93 13.61 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.8 m -56.51 -40.66 75.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 100' ' ' LYS . 1.8 mppt? -77.66 145.0 36.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -57.16 -48.08 79.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -62.44 -47.7 82.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.424 ' ND2' ' HE2' ' A' ' 100' ' ' LYS . 10.1 m-20 -55.73 -59.77 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.3 ttt-85 -38.19 -60.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -59.82 -43.07 94.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -40.93 -53.69 2.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CE2' HD21 ' A' ' 62' ' ' LEU . 28.3 t80 -68.62 -48.62 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 105' ' ' ALA . 16.2 mt -38.84 -58.73 1.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.7 m -51.45 -54.31 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 13.7 mtm -49.25 -51.53 32.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 2.2 t -45.05 -44.1 9.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.412 ' HA ' ' C ' ' A' ' 116' ' ' GLY . 60.1 t-20 -72.76 -58.75 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.4 ttt-85 -45.74 -38.49 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -86.28 -66.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -79.42 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.412 ' C ' ' HA ' ' A' ' 112' ' ' ASN . . . 150.72 170.61 18.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 118' ' ' VAL . 1.3 t -59.42 -56.7 18.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.966 0.413 . . . . 0.0 110.858 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 117' ' ' SER . 5.8 p -36.78 -37.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.8 t -77.91 -53.09 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.16 -49.47 66.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.06 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -48.31 -45.73 35.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 58.2 m -48.1 -50.31 28.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.42 HD13 ' HE2' ' A' ' 107' ' ' PHE . 82.8 mt -67.72 -47.21 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -50.72 -43.51 57.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.1 p -69.13 -36.09 77.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 51.2 mm-40 -56.67 126.33 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -66.62 174.45 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 90.2 m -65.09 -52.92 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 130' ' ' GLN . 1.1 m-20 -48.14 -47.12 34.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 129' ' ' ASP . 76.9 mm-40 -36.62 -43.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.572 ' CD2' ' HB2' ' A' ' 64' ' ' HIS . 15.4 m-85 -53.37 156.99 3.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.673 0.749 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 54.3 Cg_endo -69.77 178.55 25.07 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.3 0.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.1 mt -131.71 105.33 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -101.27 115.47 30.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.1 mp -115.06 151.11 34.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 76.5 mt -114.17 112.25 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 50.9 mm -93.32 119.48 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.449 ' HB3' HD22 ' A' ' 147' ' ' LEU . 4.2 ttp -144.66 117.32 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -167.25 -141.79 3.27 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 141' ' ' ARG . 15.7 tptm -119.63 156.74 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.446 ' N ' ' HG3' ' A' ' 140' ' ' LYS . 32.9 ttm180 -43.1 -49.12 6.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 26.6 m -42.3 -62.42 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.6 m -154.91 156.72 36.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -128.59 160.49 32.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -148.17 148.35 30.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 83.4 t -64.95 114.21 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 138' ' ' MET . 9.8 mp -86.34 -61.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.32 135.13 55.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 85.5 t -114.97 118.86 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.444 HD11 ' HD2' ' A' ' 162' ' ' ARG . 57.7 mt -115.38 132.32 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -99.8 178.43 4.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -81.69 29.25 3.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -116.0 15.43 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.8 t -106.69 171.08 7.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 33.6 p -90.16 132.47 35.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.5 ' HA ' HD12 ' A' ' 159' ' ' LEU . 14.8 p -38.15 -37.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -52.62 57.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -45.25 -35.84 3.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 156' ' ' VAL . 59.3 mt -58.34 -39.55 79.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 2.2 mmt -59.53 -57.42 13.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 162' ' ' ARG . 7.1 ptp -61.1 -36.62 80.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 161' ' ' MET . 57.5 mmt-85 -63.81 -46.75 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 67.2 mt -59.58 -55.07 39.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 45.4 mtt -48.98 -44.52 41.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 168' ' ' GLU . . . -48.59 -61.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -46.91 -33.81 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 21.9 mtp -73.73 -67.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 169' ' ' ILE . 11.2 pt-20 -42.3 -37.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.433 ' N ' ' HG3' ' A' ' 168' ' ' GLU . 69.7 mt -62.78 -41.29 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -67.87 -41.17 83.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 11.2 p -72.97 -36.65 67.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -75.51 -53.04 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.096 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.509 ' HG3' ' N ' ' A' ' 174' ' ' GLN . 9.9 pt20 -40.52 -33.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.509 ' N ' ' HG3' ' A' ' 173' ' ' GLN . 28.2 mt-30 -58.25 -55.59 32.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -82.14 17.6 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -103.9 105.6 15.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -89.37 -56.51 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.44 139.1 33.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.59 175.85 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 51.93 41.35 29.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 15' ' ' ASP . 15.8 p-10 -74.64 105.09 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.58 ' OE2' ' CH2' ' A' ' 96' ' ' TRP . 6.0 mm-40 -40.04 -42.56 1.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -38.47 -65.72 0.7 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' GLY . 18.1 t70 -35.38 -54.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.75 73.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' GLY . 91.7 mt -64.22 -52.22 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mt -42.72 -49.88 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -53.55 -45.84 70.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -67.55 -62.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 p -39.52 -46.7 1.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.87 -60.07 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -49.61 -46.32 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 2.8 t80 -63.15 -50.62 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 29' ' ' GLY . 1.5 t -47.83 -41.06 22.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 t -80.49 -60.23 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -45.52 -57.52 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.448 ' CD1' ' CD2' ' A' ' 24' ' ' PHE . 33.4 m-85 -81.46 -61.86 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 25' ' ' SER . . . 157.01 -178.44 33.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.23 -42.84 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.3 m -53.01 103.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -168.01 153.82 6.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' CD ' HD22 ' A' ' 78' ' ' LEU . 53.4 Cg_endo -69.82 142.46 47.76 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.272 . . . . 0.0 112.353 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.4 t -52.32 117.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -96.87 116.47 29.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CZ ' ' HB1' ' A' ' 42' ' ' ALA . 4.3 t80 -58.16 106.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.9 mm -79.02 110.64 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.4 -135.38 4.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.0 p -107.24 157.91 17.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.871 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 62.8 tp -59.98 -41.17 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -54.86 -40.67 69.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.577 ' HB1' ' CZ ' ' A' ' 36' ' ' PHE . . . -52.03 -50.32 61.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.48 -55.81 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 58' ' ' LEU . 95.9 m-85 -51.27 -43.22 61.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 49' ' ' TYR . 32.0 mt-30 -61.89 -49.09 77.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' HA ' ' CG1' ' A' ' 50' ' ' VAL . 19.1 tt0 -70.12 5.69 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.96 -34.1 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -118.0 -37.97 3.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 19.7 m-85 -78.64 17.94 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 46' ' ' GLU . 35.9 m -105.25 168.28 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.168 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt -52.33 146.91 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.469 ' HA ' ' CD ' ' A' ' 55' ' ' ARG . . . -54.58 -43.96 72.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.123 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -68.44 -43.46 77.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.67 17.89 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 52' ' ' ALA . 41.2 mtp85 -61.06 146.38 47.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HG3' ' C ' ' A' ' 55' ' ' ARG . 77.9 mttt -151.69 177.97 9.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.832 HD12 ' CZ ' ' A' ' 91' ' ' PHE . 55.8 mt -111.97 165.31 12.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 44' ' ' PHE . 24.8 tp -104.54 137.99 41.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HB1' ' CE1' ' A' ' 134' ' ' PHE . . . -136.21 106.23 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.123 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.6 HD11 ' HZ ' ' A' ' 115' ' ' PHE . 26.4 mt -78.61 128.88 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 53.2 t80 -108.8 115.2 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 133' ' ' LEU . 87.7 mt -93.36 102.34 14.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.406 ' CE1' ' OH ' ' A' ' 28' ' ' TYR . 77.8 t60 -88.81 134.26 33.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 66' ' ' GLU . 9.4 t-80 -142.69 102.05 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' GLU . 9.1 t70 -58.23 -51.26 70.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.495 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 10.2 mt-10 -37.32 -41.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.2 t -67.48 147.52 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.1 m -86.66 -32.45 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' O ' ' CB ' ' A' ' 73' ' ' PHE . 16.8 mt -61.28 -29.44 69.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.45 HG22 ' SG ' ' A' ' 74' ' ' CYS . 28.1 m -67.59 -36.47 80.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -52.57 -50.15 63.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' GLN . 16.8 m -86.67 -38.14 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 18.4 t80 -61.2 -11.72 10.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 33.8 m -93.14 -38.04 11.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.438 ' HA ' ' SG ' ' A' ' 79' ' ' CYS . 15.2 m -101.43 -4.08 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' VAL . 72.8 mm-40 -109.62 -43.06 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.585 ' N ' ' SD ' ' A' ' 77' ' ' MET . 0.0 OUTLIER -96.77 -48.31 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 17.3 mt -76.49 18.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 75' ' ' SER . 1.3 m -112.09 -27.56 8.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.821 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -56.03 102.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 85' ' ' SER . 12.5 pt-20 -50.25 -36.93 33.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.8 p -67.38 -43.45 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.474 ' HB ' ' HB3' ' A' ' 80' ' ' ALA . 92.7 mt -74.58 -60.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.821 HG22 ' O ' ' A' ' 80' ' ' ALA . 29.8 m -50.31 -35.18 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 12.7 t -81.7 -63.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.45 ' C ' ' CD1' ' A' ' 86' ' ' TYR . 3.7 t80 -46.62 -41.84 15.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' PHE . 4.0 tp -68.08 -42.9 79.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.4 m -65.74 -35.63 81.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -80.96 -60.61 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -64.87 -39.88 94.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.832 ' CZ ' HD12 ' A' ' 57' ' ' LEU . 5.7 m-85 -118.7 173.48 6.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.7 mm -108.77 106.26 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.9 m -77.45 121.55 23.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.871 ' CZ3' HD13 ' A' ' 40' ' ' LEU . 50.4 t90 -150.66 131.77 14.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.25 161.7 19.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CH2' ' OE2' ' A' ' 13' ' ' GLU . 25.4 t-105 -112.88 -7.27 13.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.6 t70 52.32 47.93 23.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.495 HD22 HD22 ' A' ' 62' ' ' LEU . 1.7 pt? -77.01 13.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 97.3 m -43.43 -38.73 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -80.43 152.13 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 102' ' ' SER . 4.6 p30 -57.71 -53.97 52.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 101' ' ' ASP . 51.1 m -37.51 -59.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 98' ' ' LEU . 76.0 m-20 -57.63 -49.39 76.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 103' ' ' ASN . 6.9 tmm_? -34.89 -46.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.97 -49.22 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 53.3 mtt-85 -51.85 -53.46 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -52.12 -38.87 58.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.406 HD22 ' HB1' ' A' ' 120' ' ' ALA . 20.9 mt -67.28 -46.67 72.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -64.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.476 ' HG3' ' N ' ' A' ' 111' ' ' CYS . 11.6 ptp -46.82 -35.32 6.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 110' ' ' MET . 6.2 m -68.31 -45.44 72.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -45.79 -36.15 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -84.19 -52.36 6.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -60.41 -65.14 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.668 ' HB2' HG11 ' A' ' 119' ' ' VAL . 33.7 m-85 -90.61 -68.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.437 ' O ' HG12 ' A' ' 119' ' ' VAL . . . 159.54 -176.19 36.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' ALA . 30.6 t -78.11 -47.47 18.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.376 . . . . 0.0 110.847 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.3 t -42.69 -51.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.668 HG11 ' HB2' ' A' ' 115' ' ' PHE . 11.2 p -60.85 -29.63 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 117' ' ' SER . . . -72.68 -52.61 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -59.76 -45.03 93.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.1 m -51.41 -44.14 62.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.59 -51.39 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -44.41 -39.35 4.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 78.5 p -70.44 -36.11 73.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.44 ' OE1' HD21 ' A' ' 133' ' ' LEU . 33.8 mt-30 -55.54 127.61 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 127' ' ' LYS . 3.4 mptp? -58.06 175.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 52.9 m -75.51 -59.57 2.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.8 -42.15 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.48 ' OE1' ' N ' ' A' ' 130' ' ' GLN . 1.0 OUTLIER -37.84 -42.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.525 ' HA ' ' C ' ' A' ' 132' ' ' PRO . 25.3 m-85 -52.04 156.63 2.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 131' ' ' PHE . 53.5 Cg_endo -69.74 156.26 92.81 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.352 0.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.627 ' HB2' HD12 ' A' ' 62' ' ' LEU . 21.0 mt -106.78 102.0 11.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.542 ' CE1' ' HB1' ' A' ' 59' ' ' ALA . 2.7 t80 -94.99 118.99 32.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 135' ' ' LEU . 5.0 mp -118.38 148.92 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 26.2 mt -112.08 109.36 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 40.0 mm -94.48 138.58 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 7.0 ttt -147.14 132.07 18.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 148.84 -137.11 6.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 144' ' ' ASN . 18.6 tptt -118.59 163.12 17.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 142' ' ' SER . 17.6 ptt180 -36.81 -32.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 141' ' ' ARG . 16.8 m -116.08 -33.14 5.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.2 t -77.32 9.33 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 140' ' ' LYS . 81.2 m-20 -60.74 136.99 58.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -146.2 173.02 12.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.06 123.82 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.9 mt -95.88 -61.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -116.38 141.69 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.11 111.65 28.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.127 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 27.6 mt -100.0 121.34 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 130' ' ' GLN . 65.4 mt-30 -60.67 -56.16 24.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 145.6 -25.03 1.82 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -80.44 15.65 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 14.0 t -77.7 166.44 22.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . . . . . . . . . 47.6 p -86.08 135.24 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 157' ' ' ASP . 7.7 p -41.44 -42.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.436 ' N ' HG13 ' A' ' 156' ' ' VAL . 1.8 m-20 -60.28 -48.21 82.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -49.92 -43.57 49.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.53 -50.52 65.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 2.7 tpt -51.61 -44.56 62.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.7 mmt -68.89 -53.62 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -41.95 -51.7 4.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 70.5 mt -59.69 -61.33 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 56.4 mmm -42.67 -44.88 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.56 56.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -45.63 -42.19 11.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' MET . . . . . . . . . . . . . 2.7 mtp -61.39 -44.16 97.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -54.58 -53.71 50.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 55.4 mt -59.06 -41.1 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -63.45 -61.86 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 25.4 p -42.98 -50.74 5.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . . . . . . . . . . . -68.15 -45.33 73.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 174' ' ' GLN . 3.0 tp-100 -48.72 -46.31 40.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 173' ' ' GLN . 36.1 mt-30 -35.22 -50.18 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -95.54 172.76 7.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -117.41 104.71 11.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -76.55 -60.37 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.803 ' H ' HD12 ' A' ' 178' ' ' ILE . 4.9 mp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 stop_ save_