data_1t84_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 1t84 _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 ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.088 0.47 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.92 -31.64 6.88 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.571 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -87.85 151.45 22.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 0.0 110.613 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -149.98 147.94 23.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.0 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.93 68.39 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.648 2.232 . . . . 0.0 112.295 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -159.69 -70.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.983 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -77.73 -70.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.76 -115.08 2.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -102.95 129.69 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -95.52 67.54 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 m -55.82 -41.09 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -54.95 -30.35 58.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -129.2 27.64 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -63.61 130.7 45.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.74 134.96 55.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.48 -58.71 1.58 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.475 2.117 . . . . 0.0 112.379 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.59 -57.82 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.27 -36.31 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -48.91 68.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.2 m -69.92 -31.08 68.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.4 -21.82 51.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -93.48 -53.69 3.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.745 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -26.93 9.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -78.14 -39.02 42.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.037 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' N ' ' CG1' ' A' ' 82' ' ' VAL . . . -75.82 -23.46 55.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.187 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.43 47.06 1.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.418 HD13 ' CD2' ' A' ' 85' ' ' LEU . 57.1 mt -125.74 138.89 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.733 0.301 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.6 p -116.63 -179.6 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.169 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' THR . 1.2 mt-10 -59.76 -23.6 63.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.39 93.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.164 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.9 -24.25 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mt -90.37 -21.52 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.326 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 37' ' ' GLU . 77.1 p -94.49 33.64 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.131 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.13 117.66 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.12 -23.38 54.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -78.95 -42.4 26.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.066 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.424 ' CG2' HD13 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -85.54 -31.41 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.9 p -50.1 -36.14 28.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -40.91 16.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.759 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.69 -32.5 67.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.717 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.424 HD13 ' CG2' ' A' ' 45' ' ' THR . 10.2 mt -88.04 -24.72 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.29 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -55.83 -21.74 21.29 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.374 -179.244 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -59.15 -18.6 37.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.67 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -87.14 -61.42 1.73 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.165 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.439 HG21 HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -63.51 -18.61 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.31 178.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 3.2 tm-20 -83.88 -48.59 9.87 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.99 0.424 . . . . 0.0 110.98 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.26 -34.92 63.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.526 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -55.7 -21.07 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.174 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.05 -22.11 9.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.265 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.434 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 142.05 141.39 3.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.62 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -56.52 -55.62 31.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 -179.36 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 2.2 pt-20 -70.41 -32.12 69.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 60' ' ' GLU . . . -64.13 -21.96 66.75 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.839 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 77.0 t -83.4 -37.92 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.451 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -46.98 -44.82 20.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.17 -24.83 66.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.712 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -84.24 -48.57 9.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.646 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.4 tp . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 120.634 0.254 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 33' ' ' ALA . 19.5 t -75.59 -33.45 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.184 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.14 -21.9 57.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.585 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.35 -42.46 22.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 3.9 tp -61.88 -24.95 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.782 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 mtt -71.23 -29.62 65.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.081 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -78.94 -27.01 43.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.2 t -72.57 -27.66 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 51.5 mmm -83.01 -24.6 32.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.65 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -60.55 -32.74 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.64 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -59.07 -42.42 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.75 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -78.89 -28.53 44.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.027 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 -179.818 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.186 0.517 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.23 -40.73 28.25 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.178 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.421 ' CH2' ' HG3' ' A' ' 13' ' ' PRO . 3.5 t90 -76.0 135.66 39.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.833 0.349 . . . . 0.0 110.454 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.36 135.79 27.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 35.3 Cg_exo -57.55 85.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.458 2.105 . . . . 0.0 112.272 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 172.92 -77.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -68.39 -46.71 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 -179.793 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.25 -101.01 2.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -102.62 153.02 20.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.796 0.331 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -114.31 64.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m -53.07 -29.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -72.34 -29.94 64.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.49 34.21 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.012 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.15 136.79 39.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.59 148.85 95.35 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.992 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.13 -60.02 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.432 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 3.4 m-20 -54.38 -51.79 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -55.89 -43.0 76.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -44.28 75.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -25.69 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.766 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.13 -22.03 66.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' A' ' 26' ' ' LEU . 13.2 m-85 -90.61 -53.5 4.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -21.31 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -81.07 -24.67 37.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.042 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.59 -23.16 17.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.37 30.31 4.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.721 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.468 HD12 HG22 ' A' ' 35' ' ' ILE . 22.8 mt -107.63 132.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.019 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.4 169.45 8.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.179 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -52.14 -46.3 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.85 -38.64 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -76.98 -24.48 52.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -80.57 -32.34 36.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.959 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 p -69.7 -46.74 65.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.29 116.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.065 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.11 -52.42 65.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.002 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -53.71 -48.52 69.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.5 m -67.21 -37.08 83.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -52.76 -52.8 55.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.679 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -66.15 -34.6 78.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.563 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.76 -37.94 88.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.835 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.1 mt -87.34 -20.53 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.509 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -20.54 58.03 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.724 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.09 -17.79 42.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.83 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.478 ' CG ' ' HG ' ' A' ' 85' ' ' LEU . 60.4 t80 -86.31 -62.0 1.61 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.557 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.446 HG21 ' CD1' ' A' ' 59' ' ' LEU . 14.1 mt -64.25 -17.74 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.607 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.95 -24.37 33.03 Favored 'General case' 0 CA--C 1.527 0.061 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.121 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -83.56 -47.15 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' OE1' ' CD2' ' A' ' 52' ' ' PHE . 6.1 mp0 -55.74 -23.74 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.14 -24.97 11.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.56 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 158.31 -169.69 34.91 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.601 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' CD1' HG21 ' A' ' 53' ' ' ILE . 1.2 mp -84.7 -54.75 4.5 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.915 0.358 . . . . 0.0 110.308 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.46 -30.89 70.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB2' ' CA ' ' A' ' 58' ' ' GLY . . . -61.09 -39.36 89.63 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.495 176.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 56' ' ' GLN . 92.9 t -83.73 -53.89 10.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.887 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.432 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 16.0 mtm180 -47.17 -26.69 1.2 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.39 -28.55 46.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.283 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.22 -58.44 2.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.645 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.567 -178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.9 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.909 0.385 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.5 t -72.36 -29.68 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.946 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.83 -31.52 72.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.304 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.35 -51.75 54.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 110.836 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' HG ' ' CG ' ' A' ' 52' ' ' PHE . 1.8 tt -53.0 -34.13 54.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.724 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.2 mtt -53.12 -43.69 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -62.58 -40.99 98.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.638 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.55 -22.9 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.127 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.89 -26.71 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.549 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -61.57 -26.41 67.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.709 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -62.99 -50.74 69.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -56.42 -43.1 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.3 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.973 0.416 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.48 -36.37 7.48 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.081 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.563 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 8.1 t90 -77.42 153.36 33.71 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.211 0.529 . . . . 0.0 110.591 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.426 ' CB ' ' HB2' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -133.3 144.78 53.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.381 178.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.4 -15.84 20.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.662 2.242 . . . . 0.0 112.848 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -116.64 -52.39 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 111.336 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.426 ' HB2' ' CB ' ' A' ' 12' ' ' ASP . 9.6 m-80 -47.53 -46.57 27.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.15 -159.8 30.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.511 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -74.57 154.02 38.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.973 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.96 46.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.642 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.25 -24.78 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.28 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -54.99 -44.67 74.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.563 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -133.74 47.46 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.596 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.37 129.27 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.001 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.67 144.32 25.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.176 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.14 -54.87 4.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.515 2.143 . . . . 0.0 112.119 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -41.36 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -42.34 63.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -26.11 37.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.693 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -86.43 -27.86 23.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.392 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.3 tp -65.43 -21.88 66.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.865 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -90.58 -59.58 2.14 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.98 0.419 . . . . 0.0 110.951 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -48.83 -33.71 11.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -72.87 -37.44 67.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.37 -23.07 50.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.211 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.92 47.49 2.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.581 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.414 HD12 ' CD1' ' A' ' 85' ' ' LEU . 27.6 mt -122.93 140.53 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.93 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -109.36 -176.16 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.91 -35.84 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.59 -50.09 33.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.319 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.4 -33.19 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.43 -43.7 66.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.958 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.7 p -70.98 -32.15 68.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.71 109.46 2.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.25 68.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.41 -36.29 82.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.84 -29.41 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.715 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -51.1 -57.71 7.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -60.37 -28.88 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.207 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.82 -34.51 64.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.29 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.1 mt -88.09 -20.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.155 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.563 ' CE2' ' CZ3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -67.03 -22.72 65.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.649 -179.059 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.71 -17.88 50.85 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 77.7 t80 -88.53 -57.39 2.93 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.542 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.418 HD12 HG22 ' A' ' 53' ' ' ILE . 1.5 mt -70.18 -18.88 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.764 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.476 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 12.5 tm-20 -84.25 -36.16 22.89 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.82 0.343 . . . . 0.0 111.046 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -81.08 -41.37 22.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.628 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -55.54 -20.71 14.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 0.0 111.222 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.62 -28.35 5.74 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.121 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.438 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 153.17 149.18 5.09 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -59.71 -55.47 33.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.809 0.337 . . . . 0.0 110.988 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 8.7 pt-20 -74.15 -33.8 63.63 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' HB1' ' HA3' ' A' ' 58' ' ' GLY . . . -58.67 -26.71 64.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.034 176.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 36.5 t -79.49 -39.3 20.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.428 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -53.65 -31.4 47.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.123 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -77.1 -29.73 54.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.494 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -84.01 -46.15 12.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.867 0.365 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.37 -42.29 95.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.664 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.86 79.18 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.028 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.4 69.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.649 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 5.1 tp -67.28 -38.44 85.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.389 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.9 mtt -57.39 -40.42 78.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -68.69 -36.71 78.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.982 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.6 t -62.23 -30.42 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 68.2 mmm -79.19 -31.64 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -68.9 -32.45 72.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -34.32 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.1 tpt85 -77.28 -36.26 54.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.717 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.1 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.883 0.373 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.93 -31.7 22.87 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.88 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.413 ' C ' ' CE3' ' A' ' 11' ' ' TRP . 2.3 t90 -86.79 148.08 25.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.68 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -146.16 152.83 47.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.81 63.0 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.656 2.237 . . . . 0.0 112.308 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.61 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -58.53 -50.21 74.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.96 -93.8 1.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.484 ' CD2' HD11 ' A' ' 40' ' ' LEU . 3.4 m-85 -119.49 115.7 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.972 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.52 68.26 10.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.6 m -55.96 -30.13 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.1 p30 -59.88 -42.04 92.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.032 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -120.99 36.18 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.24 125.84 26.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.775 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.59 138.53 60.94 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.886 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.24 -56.83 2.39 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.504 2.136 . . . . 0.0 112.296 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.53 -51.74 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -26.94 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.693 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -55.72 -43.32 76.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.797 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 m -75.42 -26.94 58.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.438 ' CD1' ' HG ' ' A' ' 81' ' ' LEU . 4.4 tp -67.02 -17.58 64.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.192 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CZ ' HD13 ' A' ' 53' ' ' ILE . 9.8 m-85 -101.41 -60.23 1.56 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.885 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -50.06 -29.7 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -77.7 -31.51 52.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.192 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.96 -23.07 41.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.225 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.94 52.42 0.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.582 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.439 ' CG2' HD21 ' A' ' 40' ' ' LEU . 21.1 mt -128.23 137.48 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.29 166.08 17.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.42 ' O ' ' CG2' ' A' ' 41' ' ' THR . 0.3 OUTLIER -45.29 -39.13 6.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.335 -179.602 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.65 -33.53 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.4 -56.75 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -59.32 -47.08 86.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.633 -179.189 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 37' ' ' GLU . 66.7 p -50.13 -27.06 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.991 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -80.89 122.48 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.1 94.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.89 -38.34 90.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.7 m -72.2 -29.75 64.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.4 m -62.4 -57.96 9.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.73 -48.98 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.22 -35.18 62.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 21.0 mt -88.36 -22.09 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.494 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -20.42 51.34 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.691 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -18.28 32.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.504 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -86.0 -61.58 1.72 Allowed 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.535 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.471 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 1.1 mt -64.64 -17.95 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.632 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -83.45 -41.32 18.19 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.931 0.396 . . . . 0.0 110.77 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -77.86 -34.64 51.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.128 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -55.85 -20.6 16.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.21 -19.36 13.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.339 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' VAL . . . 141.37 137.48 3.41 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.246 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -56.28 -55.48 32.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.736 0.303 . . . . 0.0 111.329 -179.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.53 -31.49 69.73 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.5 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.49 67.94 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.441 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 58' ' ' GLY . 88.4 t -83.89 -36.22 11.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.178 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -46.43 -27.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 60' ' ' GLU . 2.9 mp0 -62.07 -42.69 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.93 -48.53 13.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 29' ' ' LEU . 15.8 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.73 0.3 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.4 t -85.96 -42.37 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.192 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -50.03 -42.01 38.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.95 -40.12 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 tp -66.93 -41.73 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.3 mtt -52.72 -27.21 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -78.5 -21.26 49.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.075 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.0 t -89.22 -20.5 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.408 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.27 -26.17 35.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -31.03 68.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -29.18 62.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -81.18 -53.22 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 121.013 0.435 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.23 -40.08 7.1 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.993 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CD1' ' HA2' ' A' ' 16' ' ' GLY . 6.4 t90 -69.77 146.86 51.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.119 0.485 . . . . 0.0 110.416 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -120.37 160.72 42.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.769 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.94 -0.15 9.11 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.843 2.362 . . . . 0.0 112.967 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -113.38 -84.38 0.59 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.706 0.289 . . . . 0.0 111.138 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -49.4 -64.52 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.976 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.425 ' HA2' ' CD1' ' A' ' 11' ' ' TRP . . . 112.14 -97.83 0.94 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.694 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.435 ' CD2' ' HA ' ' A' ' 40' ' ' LEU . 11.6 m-85 -93.83 132.51 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.272 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -91.81 51.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.142 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 20' ' ' ASN . 7.2 p -44.82 -27.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.814 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.428 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -59.06 -54.62 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.959 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.56 42.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 127.25 32.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.14 136.46 80.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -51.58 -51.62 10.78 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.414 2.076 . . . . 0.0 112.17 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.08 -53.09 37.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.76 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -67.03 -39.87 87.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.68 179.544 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -57.55 -32.12 66.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -79.52 -27.32 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.393 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' O ' ' CD2' ' A' ' 29' ' ' LEU . 3.5 tt -64.12 -29.03 70.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.704 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.439 ' CE2' HD11 ' A' ' 26' ' ' LEU . 17.9 m-85 -82.95 -55.84 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.836 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.22 -25.88 4.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.96 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.43 ' CB ' HG11 ' A' ' 82' ' ' VAL . 2.4 mtt85 -84.84 -43.68 13.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.984 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.88 -22.64 65.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.282 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.0 40.36 2.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.563 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.402 HD12 HG21 ' A' ' 35' ' ' ILE . 24.9 mt -119.64 147.74 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.7 p -120.27 -177.14 3.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.191 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -39.06 79.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.03 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.75 -49.69 47.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -36.86 83.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 36.6 mt -74.33 -45.44 47.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 p -63.45 -44.84 93.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.117 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.09 104.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.005 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.44 -32.25 57.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -59.26 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -61.31 -31.03 70.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.7 m -51.11 -58.97 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.588 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -56.49 -36.22 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.201 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.62 -33.68 76.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.274 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.9 mt -87.82 -22.85 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.04 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -21.54 66.79 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.699 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 32.8 t70 -59.78 -17.79 38.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 175.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 62.4 t80 -89.32 -61.34 1.72 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' CG2' ' HB2' ' A' ' 59' ' ' LEU . 5.6 mt -64.08 -18.24 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.148 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -80.21 -50.33 10.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.879 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -60.37 -44.12 95.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.833 -178.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.48 -20.05 11.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.355 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.45 -26.55 9.0 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.967 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 156.08 147.93 4.89 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.654 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -60.14 -54.93 40.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.885 0.374 . . . . 0.0 110.704 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 3.2 pt-20 -69.85 -32.71 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -27.74 69.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.932 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 54.3 t -77.23 -40.36 29.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.522 177.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -52.15 -30.04 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.159 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -68.25 -30.4 69.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.631 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.88 -53.36 5.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.012 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.859 0.362 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.43 HG11 ' CB ' ' A' ' 32' ' ' ARG . 58.8 t -74.44 -34.29 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.991 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.5 -30.62 71.02 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.342 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.74 -24.74 62.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 111.048 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' HG ' ' CD1' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -83.74 -44.66 14.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.811 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.8 mtt -52.1 -24.94 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -85.05 -31.66 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.053 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.31 -25.59 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.258 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 76.9 mmm -82.03 -24.94 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -70.07 -38.43 75.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -52.8 -45.94 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.13 -47.53 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.212 -179.776 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 121.071 0.462 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.1 -28.7 9.05 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.732 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.426 ' CH2' ' HG3' ' A' ' 13' ' ' PRO . 4.2 t90 -82.44 141.17 32.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.948 0.404 . . . . 0.0 110.912 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -143.8 137.89 14.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.747 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 52.3 Cg_exo -55.25 84.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.575 2.183 . . . . 0.0 112.373 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -176.32 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -103.59 -55.44 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.28 -98.7 1.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.33 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -103.97 175.7 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.857 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -139.34 33.78 2.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 14.7 p -39.91 -30.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.958 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -66.92 -49.32 65.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.949 0.404 . . . . 0.0 110.734 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.61 32.71 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.358 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASP . 1.0 OUTLIER -103.92 139.19 39.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.511 -179.201 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.42 167.81 0.29 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.527 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -79.56 -38.25 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.797 2.331 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -51.26 55.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.697 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.53 -25.93 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.72 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -56.81 6.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.794 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 m -60.02 -32.45 70.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.437 HD11 ' CE ' ' A' ' 66' ' ' MET . 10.9 tp -56.71 -22.89 38.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.895 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 85' ' ' LEU . 31.4 m-85 -94.89 -55.61 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -24.95 3.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -83.36 -24.86 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.08 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.77 -23.22 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.196 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.22 33.72 2.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.603 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.6 mt -122.78 135.02 64.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -103.42 178.76 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.19 88.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.18 -46.35 45.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -34.81 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.4 mt -72.33 -23.51 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.7 p -99.68 40.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.91 134.73 49.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.929 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.17 -36.07 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -79.38 -31.99 43.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -86.09 -24.86 26.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -59.32 -57.89 11.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.031 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -55.84 -27.3 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.59 -34.38 62.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.651 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.7 mt -88.39 -25.72 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.828 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -20.85 19.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.751 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.86 -17.83 39.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.717 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 60.9 t80 -85.65 -61.36 1.78 Allowed 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.453 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.44 ' CG2' ' HB2' ' A' ' 59' ' ' LEU . 1.6 mt -64.37 -17.5 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.584 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.35 -47.94 10.93 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.829 0.347 . . . . 0.0 111.02 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -38.33 80.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.344 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -55.92 -20.26 15.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.227 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.87 -26.89 8.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.298 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 62' ' ' VAL . . . 154.36 141.69 3.3 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.59 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -56.43 -55.19 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.882 0.372 . . . . 0.0 111.069 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 9.7 pt-20 -70.28 -33.7 71.89 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.404 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . . . -62.39 -22.44 66.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.621 177.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' GLY . 62.8 t -83.43 -47.93 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.671 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -46.95 -27.19 1.19 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.86 -30.39 67.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -84.04 -50.89 7.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.437 ' CE ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.839 0.352 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.415 ' CG2' HD12 ' A' ' 29' ' ' LEU . 21.2 t -79.96 -30.37 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.004 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.43 -39.63 84.14 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.63 85.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.436 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 2.8 tp -56.85 -42.7 80.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.8 mtt -52.04 -32.01 32.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -75.87 -20.91 57.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 31.2 t -86.71 -20.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.617 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.58 -37.67 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.787 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -52.12 -35.64 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -67.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.071 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -44.73 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.317 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 10' ' ' GLY . 3.1 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.173 0.511 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.403 ' N ' ' CG2' ' A' ' 9' ' ' VAL . . . -93.84 -42.11 4.21 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.237 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -64.48 130.39 43.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.007 0.432 . . . . 0.0 110.419 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -115.59 128.19 26.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.018 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.63 72.32 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.445 2.096 . . . . 0.0 112.123 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER 177.04 -61.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.59 -48.93 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.736 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.8 -124.8 6.65 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.59 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 40' ' ' LEU . 1.7 m-85 -92.02 141.06 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.036 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -91.88 51.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.473 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.65 -29.72 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.459 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -57.27 -44.94 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.004 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.49 43.37 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.4 139.1 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.27 131.52 93.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.732 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.65 -42.84 48.57 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.422 2.081 . . . . 0.0 112.386 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -58.59 6.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.91 -36.67 75.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.731 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -54.69 -49.91 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.672 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -27.51 67.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -24.81 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -85.24 -63.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -50.27 -25.64 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.995 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -80.78 -31.44 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.2 -23.15 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.43 39.74 1.32 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.635 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.416 HG22 ' CB ' ' A' ' 39' ' ' GLN . 21.4 mt -127.59 155.01 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -132.59 178.93 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.76 -43.08 76.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.89 -33.29 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' CB ' HG22 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -77.97 -34.44 51.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.018 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.441 HD23 ' CE2' ' A' ' 17' ' ' PHE . 27.7 mt -75.8 -33.68 60.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.979 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.4 p -67.72 -25.89 65.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.65 114.92 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -47.42 85.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.74 -37.15 86.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.9 m -75.88 -24.97 55.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.043 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -67.67 -34.79 77.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -53.15 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.312 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.96 -26.18 68.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.339 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.0 mt -88.05 -24.61 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.56 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -67.57 -23.86 65.45 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.448 -179.34 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 52' ' ' PHE . 52.5 p-10 -58.66 -19.17 36.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.782 0.325 . . . . 0.0 110.133 176.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 18.6 t80 -87.27 -61.11 1.8 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.377 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.454 HD13 HG22 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -64.9 -18.88 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.541 178.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 2.0 tt0 -84.21 -48.2 10.04 Favored 'General case' 0 CA--C 1.527 0.069 0 CA-C-O 120.865 0.364 . . . . 0.0 111.148 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -76.65 -37.94 55.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.858 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -55.65 -21.25 17.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.705 0.288 . . . . 0.0 111.209 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.42 -29.2 4.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.279 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' VAL . . . 146.54 154.13 6.1 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.449 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -55.04 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.929 0.395 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -81.1 -33.53 33.24 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.3 -28.9 65.42 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.76 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 58' ' ' GLY . 2.9 t -81.42 -37.38 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.375 177.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.71 38.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.263 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -74.42 -27.65 60.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.513 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.31 -38.13 19.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.158 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.973 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.561 0.22 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.5 -30.17 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 111.041 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.35 -36.9 70.3 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.989 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.32 -26.89 8.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.612 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.439 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -85.0 -38.05 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.667 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.1 mtt -55.85 -34.57 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.81 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -75.04 -26.17 59.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.984 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.8 t -81.04 -21.03 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.424 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.3 mmt -79.84 -23.68 41.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -27.82 67.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -61.71 -48.96 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.61 -39.63 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.892 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.3 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.159 0.504 . . . . 0.0 111.416 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.98 -46.79 5.53 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.831 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -70.32 130.52 42.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.018 0.437 . . . . 0.0 110.467 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 14' ' ' GLN . 25.6 p-10 -116.85 140.04 26.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.762 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 23.0 Cg_exo -63.95 67.96 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.552 2.168 . . . . 0.0 112.336 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -150.97 -74.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -97.28 -41.33 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.18 -91.68 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 40' ' ' LEU . 48.9 m-85 -107.18 -178.81 3.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 111.038 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -137.59 67.48 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.611 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.9 m -46.43 -31.98 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.559 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -56.94 -26.85 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -144.07 32.57 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.57 136.46 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.034 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.43 147.77 36.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.12 -38.45 4.94 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.692 2.261 . . . . 0.0 112.478 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -69.35 -38.65 78.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD1' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -75.52 -41.31 55.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.09 -29.96 14.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.944 0.402 . . . . 0.0 110.666 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -84.24 -35.13 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.606 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 52' ' ' PHE . 2.4 tt -53.23 -26.49 17.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE2' HD22 ' A' ' 40' ' ' LEU . 24.9 m-85 -84.41 -54.76 4.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.883 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -49.83 -25.04 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -87.22 -30.27 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.45 -23.35 26.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.07 47.9 1.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.783 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.424 HG22 HD13 ' A' ' 35' ' ' ILE . 18.8 mt -127.75 149.17 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.714 0.293 . . . . 0.0 110.932 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -125.54 -168.4 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.239 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -44.72 85.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.159 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.65 -30.97 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.443 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -80.4 -40.69 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 18.9 mt -72.46 -42.3 65.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.3 p -61.1 -34.18 74.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.092 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -65.96 125.77 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.047 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.49 64.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -73.53 -49.6 25.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 m -69.74 -28.76 66.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -59.31 -59.13 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.437 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -31.89 54.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.081 0.467 . . . . 0.0 109.974 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.82 -34.11 73.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.165 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.9 mt -88.43 -20.49 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.114 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -21.99 65.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.692 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.33 -18.05 47.18 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.42 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 80.7 t80 -87.72 -60.83 1.86 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.491 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.444 ' CG2' HD11 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -66.04 -17.63 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.863 179.242 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.78 -25.41 37.94 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.07 -44.02 20.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 52' ' ' PHE . 2.3 mp0 -57.9 -24.21 56.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.06 -26.28 9.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.473 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 156.24 -170.63 33.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.79 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.444 HD11 ' CG2' ' A' ' 53' ' ' ILE . 2.8 mp -83.79 -54.43 4.91 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.908 0.385 . . . . 0.0 110.39 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -64.48 -29.81 70.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 173.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' GLU . . . -62.29 -31.89 72.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.833 176.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 53.4 t -83.51 -44.76 18.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.329 178.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -50.66 -42.6 56.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -50.57 -42.48 55.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.786 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.02 -38.92 18.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.028 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.25 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.883 0.373 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.46 -45.67 89.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.19 -40.41 67.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.417 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.47 -40.37 71.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 3.8 tp -67.01 -30.1 70.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.681 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.1 mtt -65.15 -45.22 85.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.823 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.49 -45.99 90.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.42 -21.37 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.9 mmt -83.14 -25.67 31.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 0.0 110.793 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.92 -31.92 64.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -64.33 -28.58 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -49.95 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.983 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 121.088 0.471 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.94 -35.05 25.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.7 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -84.13 142.57 30.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.779 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' GLN . 31.4 m-20 -144.81 151.79 50.48 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.829 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.55 68.91 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.559 2.172 . . . . 0.0 112.25 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.1 mt-30 -151.72 -83.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -84.42 -47.73 10.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.49 -91.53 1.06 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.439 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 13.5 m-85 -108.51 178.92 4.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -179.62 69.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.971 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 20.5 m -43.75 -29.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.456 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.5 -51.07 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.821 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -104.79 21.9 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 19' ' ' VAL . 1.3 tp -105.03 134.7 47.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.9 146.55 27.57 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.36 -35.02 14.64 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.58 2.187 . . . . 0.0 112.021 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.6 -48.99 57.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.626 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -29.71 61.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -58.13 -46.15 86.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.452 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.6 m -69.74 -26.66 64.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.514 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.11 -22.9 62.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.699 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 53' ' ' ILE . 6.6 m-85 -89.66 -63.77 1.24 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.02 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.5 m -48.39 -34.88 11.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.114 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' CB ' HG13 ' A' ' 82' ' ' VAL . 31.0 mtp85 -67.69 -28.4 67.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.51 -23.02 43.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.19 34.65 2.48 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mt -116.7 142.16 31.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.37 178.77 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -38.02 84.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.91 -49.71 68.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.32 -27.04 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 mt -82.32 -43.98 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.9 p -64.11 -25.25 68.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.51 118.83 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.02 93.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -40.47 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 49' ' ' ILE . 57.8 m -86.18 -30.63 22.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 12.2 p -49.85 -59.62 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.266 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' ' OG ' ' A' ' 46' ' ' SER . 14.0 ptmt -64.9 -30.48 71.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.58 -34.35 78.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.508 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.418 ' CD1' HG21 ' A' ' 45' ' ' THR . 59.0 mt -88.39 -20.84 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.415 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -20.69 52.48 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.819 -178.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -58.51 -17.87 24.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.606 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -86.4 -61.78 1.66 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 9.4 mt -64.31 -17.43 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -30.23 28.06 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -79.55 -41.24 27.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.375 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.26 -21.82 15.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.003 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.92 -21.94 13.08 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.288 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.425 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 154.44 136.42 2.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -54.67 -54.99 34.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.784 0.326 . . . . 0.0 111.036 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -70.41 -31.38 68.56 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.497 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.99 -19.94 66.03 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.745 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 78.9 t -82.93 -32.59 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.698 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -47.58 -28.53 2.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -30.67 30.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -74.62 -49.01 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.742 0.305 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.42 HG13 ' CB ' ' A' ' 32' ' ' ARG . 11.0 t -78.32 -22.45 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.342 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.25 80.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.464 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.94 -48.92 62.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.98 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 tp -50.49 -47.41 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.5 mtt -51.65 -54.2 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.755 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -51.28 -24.69 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.04 -27.3 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.217 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 67.9 mmm -83.48 -35.61 24.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.561 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -63.12 -32.36 73.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.773 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -67.5 -50.6 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.769 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -65.07 -44.26 89.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.764 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.923 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 10' ' ' GLY . 94.6 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.035 0.445 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.423 ' N ' ' CG1' ' A' ' 9' ' ' VAL . . . -88.86 -47.56 4.16 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.352 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 4.2 t90 -68.59 123.16 20.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.905 0.384 . . . . 0.0 110.215 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.7 OUTLIER -104.38 126.51 31.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.989 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.484 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 37.0 Cg_exo -60.72 77.37 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.236 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER 174.69 -60.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.29 -48.57 17.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.55 -138.31 14.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.381 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.48 ' CE2' HD23 ' A' ' 40' ' ' LEU . 10.8 m-85 -69.86 173.18 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.49 64.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.145 0.498 . . . . 0.0 110.711 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.83 -29.65 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -57.35 -33.25 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -136.31 38.84 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.39 141.99 48.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.926 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.39 153.93 91.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.816 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.06 -38.15 7.51 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.549 2.166 . . . . 0.0 112.232 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.77 83.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.66 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' HG ' ' CD1' ' A' ' 59' ' ' LEU . 2.9 tm? -75.06 -45.31 42.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -52.28 -33.96 44.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -26.26 56.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.485 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.481 HD23 ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tt -61.22 -25.83 67.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.796 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -91.47 -47.25 7.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -52.41 -25.75 10.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -84.57 -40.66 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.46 -23.19 61.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.69 50.56 1.95 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.649 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 36' ' ' SER . 36.8 mt -126.8 147.08 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 111.092 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -124.63 -175.81 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 -179.768 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.45 -40.63 87.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.24 -40.94 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.504 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -81.78 -23.18 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' A' ' 17' ' ' PHE . 12.2 mt -86.46 -22.38 26.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.259 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 64.8 p -81.28 -40.49 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -59.87 129.2 40.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.061 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.01 66.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -38.87 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -84.98 -41.33 15.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.0 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.0 m -50.57 -59.24 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.786 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -56.54 -40.94 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.015 0.435 . . . . 0.0 109.999 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.96 -33.37 70.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.281 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.23 -24.01 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.14 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -63.36 -23.85 67.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.403 -178.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.9 -18.15 42.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 20.0 t80 -85.77 -60.99 1.86 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.526 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.414 HG21 ' CD1' ' A' ' 59' ' ' LEU . 8.9 mt -66.45 -17.63 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.672 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -80.3 -32.82 37.99 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.788 0.328 . . . . 0.0 111.108 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.26 -38.89 63.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -59.73 -24.42 64.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.86 -25.58 14.27 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.39 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.429 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 159.69 -176.98 36.38 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.293 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.417 ' CD1' ' HG ' ' A' ' 26' ' ' LEU . 1.4 mp -80.14 -54.51 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.201 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.17 -31.41 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 173.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' HB1' ' CA ' ' A' ' 58' ' ' GLY . . . -61.63 -31.59 71.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.178 176.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 42.6 t -82.49 -43.66 19.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.091 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -51.22 -35.01 34.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.667 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -62.47 -43.47 98.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.837 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -84.44 -40.25 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.737 0.303 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.03 -45.8 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.29 -26.33 36.16 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.246 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.56 -33.67 60.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.813 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 2.8 tp -62.99 -46.9 85.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.3 mtt -50.0 -24.8 2.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -77.5 -33.84 54.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.451 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.428 HG11 ' CD1' ' A' ' 85' ' ' LEU . 1.3 p -65.78 -27.34 41.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.879 0.371 . . . . 0.0 111.048 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 25.2 mmt -76.09 -39.51 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -57.37 -36.01 70.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -60.13 -43.42 95.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.681 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.35 -48.84 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.78 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.953 0.406 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.13 -30.88 7.56 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.451 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 22.2 t90 -75.43 112.95 12.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.917 0.389 . . . . 0.0 110.256 177.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -102.3 125.73 35.45 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.91 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.05 88.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.345 2.03 . . . . 0.0 112.135 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.91 -62.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.62 -48.43 6.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.069 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.69 -119.45 3.94 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.549 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -81.18 154.38 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 110.995 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.6 66.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.5 m -59.77 -25.03 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.27 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.413 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 8.7 p30 -57.88 -48.65 79.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.714 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.413 ' ND2' ' OD1' ' A' ' 20' ' ' ASN . 18.5 p30 -116.15 30.99 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.36 137.74 58.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.036 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.77 142.24 88.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.92 -59.71 0.95 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.576 2.184 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -49.57 -61.05 2.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.68 -36.58 57.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.772 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -30.86 70.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 110.492 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.95 -27.51 24.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.148 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' CD1' ' CG2' ' A' ' 82' ' ' VAL . 6.8 tp -58.58 -25.19 62.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.774 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' CD1' ' HB ' ' A' ' 35' ' ' ILE . 16.6 m-85 -82.76 -59.69 2.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.791 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -48.94 -29.23 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.045 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -81.8 -28.34 33.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.31 -23.44 21.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.88 40.26 1.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.897 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' HB ' ' CD1' ' A' ' 30' ' ' PHE . 23.2 mt -128.14 148.97 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 111.192 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.12 174.37 10.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.82 -27.16 11.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.53 82.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.276 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -80.41 -29.77 37.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.6 mt -69.96 -32.5 70.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.127 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 p -67.46 -43.13 81.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.986 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.66 129.53 42.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -41.47 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.32 -34.59 78.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.4 m -78.19 -44.46 25.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 p -53.3 -34.69 58.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -62.53 -57.6 10.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pp -58.23 -30.04 66.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 110.772 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 74.0 mt -80.04 -30.14 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -63.4 -23.34 67.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.587 -178.668 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -60.47 -17.79 47.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 47.7 t80 -87.59 -57.36 2.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.61 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.469 HD12 HG22 ' A' ' 53' ' ' ILE . 2.0 mt -71.43 -18.51 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.834 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 2.8 tm-20 -83.97 -22.16 31.52 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.718 0.294 . . . . 0.0 111.474 178.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -88.89 -46.55 8.83 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.465 ' OE1' ' CE1' ' A' ' 52' ' ' PHE . 5.8 mp0 -55.79 -19.69 12.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.405 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.26 -31.84 4.74 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.021 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 163.25 151.7 6.53 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.684 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -61.68 -55.14 33.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.863 0.363 . . . . 0.0 110.742 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -72.96 -31.23 64.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.447 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' HB1' ' HA3' ' A' ' 58' ' ' GLY . . . -63.19 -26.46 68.82 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.013 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.436 HG13 ' CD1' ' A' ' 81' ' ' LEU . 23.6 t -79.07 -41.15 22.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.37 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -51.58 -33.73 33.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.321 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -67.73 -33.2 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.541 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -35.87 42.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.722 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.436 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.6 pt? . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.896 0.379 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.433 ' CG2' ' CD1' ' A' ' 29' ' ' LEU . 61.1 t -55.35 -47.85 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.007 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.98 -42.07 98.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.302 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.65 -30.1 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.484 ' HG ' ' CD2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -77.08 -36.68 55.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.803 179.633 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.3 mtt -55.61 -44.59 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -64.29 -35.47 80.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.622 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.31 -37.27 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.891 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.4 mmt -71.22 -37.24 72.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.699 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -66.88 -29.24 69.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.643 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -44.03 84.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.748 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -83.87 -30.72 26.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.768 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.895 0.379 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.62 -21.57 5.39 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.748 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.0 t90 -68.32 100.93 1.12 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.178 0.513 . . . . 0.0 110.446 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -84.12 125.41 72.56 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.724 179.403 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.34 77.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.605 2.204 . . . . 0.0 112.343 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER 172.75 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.864 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.93 -52.3 37.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.769 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.96 -87.41 1.14 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.608 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -116.77 159.19 22.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.24 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.63 46.36 2.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.685 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 20' ' ' ASN . 15.0 p -48.05 -25.66 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.51 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.428 ' N ' HG13 ' A' ' 19' ' ' VAL . 5.7 p-10 -60.06 -29.49 68.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.172 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -149.51 33.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.015 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.21 140.47 52.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.09 137.92 80.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.38 -44.5 43.05 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.434 2.09 . . . . 0.0 112.181 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.435 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 3.0 m-20 -56.72 -57.86 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.773 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -34.09 74.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -56.58 -46.36 80.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.0 p -70.19 -40.8 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.6 -24.03 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CZ ' HD13 ' A' ' 53' ' ' ILE . 27.5 m-85 -94.02 -51.61 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 t -53.36 -24.93 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -77.29 -24.27 51.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.986 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.44 -23.11 20.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.139 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.28 63.44 0.94 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.569 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.4 mt -125.59 138.21 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 p -104.49 172.68 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.83 -31.71 71.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.6 -46.17 73.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -70.29 -37.26 74.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.019 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -68.9 -42.71 76.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.5 p -74.11 -41.97 60.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.117 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.67 125.52 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.29 -26.9 61.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.02 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.91 -41.34 59.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -86.02 -24.76 26.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.007 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.5 p -50.01 -59.14 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.864 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -65.16 -37.82 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.695 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 tp -57.73 -31.34 66.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.434 HG12 ' CE ' ' A' ' 89' ' ' MET . 24.3 mt -88.33 -22.19 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.402 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -20.26 63.25 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.793 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.32 -17.9 23.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.641 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 88.0 t80 -86.98 -61.77 1.65 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.517 HG21 HD11 ' A' ' 53' ' ' ILE . 2.8 mt -61.74 -18.23 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.599 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -83.65 -28.96 28.03 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.722 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -50.07 35.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.61 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -55.46 -20.32 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.318 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.75 -26.31 8.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.208 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 163.05 142.3 3.36 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.654 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -53.51 -55.3 26.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.731 0.301 . . . . 0.0 111.254 -179.607 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.463 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 7.0 pt-20 -73.38 -35.79 65.96 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . . . -58.23 -20.71 44.01 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.616 176.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 55.4 t -83.43 -47.17 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.435 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 61.2 mtp180 -46.04 -39.38 9.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.274 -179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -52.47 -38.15 58.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -56.02 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.891 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.29 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 121.072 0.463 . . . . 0.0 111.263 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.2 t -55.58 -43.85 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.362 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.44 -38.76 81.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.357 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.17 -38.8 71.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.487 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 1.6 tt -71.45 -43.23 67.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.905 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.6 mtt -50.7 -29.35 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.749 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -78.47 -24.12 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.823 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.76 -32.67 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.434 ' CE ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -81.35 -31.43 33.39 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.594 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -65.82 -24.65 66.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.654 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -63.33 -57.76 9.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -61.11 -29.84 70.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 121.016 0.436 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.54 -29.36 8.32 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.861 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.539 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 14.5 t90 -86.19 125.33 33.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.959 0.409 . . . . 0.0 110.566 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -107.92 130.73 22.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.919 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 39.4 Cg_exo -61.04 72.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.669 2.246 . . . . 0.0 112.464 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER 172.04 -64.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.94 -44.8 96.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.3 -123.58 6.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.552 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.452 ' CE1' HD22 ' A' ' 40' ' ' LEU . 9.2 m-85 -94.71 170.74 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.71 64.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.62 -33.86 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.082 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 19.3 p30 -54.84 -30.3 57.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 1.2 m-20 -138.51 37.16 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.705 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mt -69.0 142.47 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.06 138.91 79.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.44 -43.23 59.3 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.505 2.137 . . . . 0.0 112.525 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.39 -60.86 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.117 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -49.38 -38.22 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.08 -30.45 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.745 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -84.56 -33.76 23.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.471 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.89 -24.15 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.75 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -91.31 -62.68 1.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.3 t -49.61 -26.2 3.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' CB ' HG21 ' A' ' 82' ' ' VAL . 47.8 mtt-85 -82.52 -27.96 31.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.35 -19.16 34.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.289 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.42 39.12 2.87 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.41 HD12 HG23 ' A' ' 35' ' ' ILE . 43.2 mt -126.53 123.39 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.416 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 43.5 m -104.16 176.53 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -54.06 -26.43 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.78 -53.65 45.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.352 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' OE1' ' N ' ' A' ' 36' ' ' SER . 21.4 mp0 -73.84 -29.74 62.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.417 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 HD22 ' CE1' ' A' ' 17' ' ' PHE . 14.4 mt -76.85 -27.31 55.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.2 p -80.89 -25.42 37.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.4 104.21 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.98 -28.0 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.242 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -80.02 -56.56 4.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.099 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.1 m -63.54 -21.04 66.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.451 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -71.47 -43.07 67.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.0 111.378 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -52.07 -57.13 10.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.492 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.13 -24.47 40.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.183 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 85.8 mt -85.95 -26.95 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.456 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.539 ' CE2' ' CZ3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -66.39 -22.64 66.25 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.548 -179.418 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -59.81 -17.94 39.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 32.1 t80 -88.39 -61.21 1.76 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.635 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.87 -18.31 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.891 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -83.7 -37.76 22.33 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.876 0.369 . . . . 0.0 111.168 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.92 -38.99 26.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.924 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -55.55 -20.28 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 111.402 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.77 -24.93 6.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.899 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.43 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 143.0 147.65 4.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.513 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.82 -55.27 37.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.8 0.333 . . . . 0.0 111.271 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -75.25 -34.23 61.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.05 65.02 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.983 176.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 24.9 t -77.37 -41.27 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.524 177.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.2 ttt-85 -51.93 -37.39 52.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.245 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -67.62 -27.93 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.292 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.77 -52.83 5.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.723 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' CD2' HG11 ' A' ' 62' ' ' VAL . 8.8 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.703 0.287 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.42 HG21 ' CB ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -76.5 -34.48 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.577 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.32 -23.8 66.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.697 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.63 -33.87 58.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.008 0.433 . . . . 0.0 110.546 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.48 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 1.4 tp -63.55 -36.99 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.523 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.0 mtt -53.44 -22.75 8.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -80.19 -45.82 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.399 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.434 ' CG1' ' CD1' ' A' ' 85' ' ' LEU . 1.2 p -52.28 -27.47 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.906 0.384 . . . . 0.0 111.049 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.6 mmt -75.09 -28.14 60.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -57.86 -34.25 69.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -42.93 88.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -54.66 11.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.031 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.062 -179.669 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.965 0.412 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.75 -33.63 6.04 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.767 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -82.04 146.09 29.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.979 0.418 . . . . 0.0 110.415 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.33 144.34 47.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.5 59.03 2.54 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.826 2.35 . . . . 0.0 112.697 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.31 -73.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -68.52 -50.83 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.28 -130.84 9.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.63 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.59 149.45 26.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -102.97 38.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.501 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 7.8 p -45.13 -29.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.569 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -54.63 -43.47 72.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.186 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -118.18 27.58 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.265 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.501 ' CD1' ' HA ' ' A' ' 19' ' ' VAL . 1.1 tp -52.77 133.34 37.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.001 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.93 142.27 56.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.28 -56.78 2.23 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.548 2.165 . . . . 0.0 112.154 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.407 ' OD1' ' NE ' ' A' ' 63' ' ' ARG . 2.2 m-20 -60.9 -40.79 94.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -64.29 -44.87 90.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -26.74 14.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.557 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.42 -28.76 23.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.342 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' CD1' HG22 ' A' ' 82' ' ' VAL . 11.0 tp -58.2 -24.8 60.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.795 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 30.7 m-85 -84.13 -56.84 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.748 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -24.99 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.769 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.412 ' CB ' HG11 ' A' ' 82' ' ' VAL . 83.0 mtt180 -86.96 -24.36 24.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.51 -23.16 19.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.76 29.29 5.03 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.929 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.422 ' CG2' ' HB2' ' A' ' 39' ' ' GLN . 24.4 mt -116.04 138.67 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.965 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.91 174.59 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -50.71 -38.33 46.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.799 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.76 -54.77 20.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.79 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 9.8 mp0 -64.02 -26.43 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.635 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 21.7 mt -76.67 -46.7 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.136 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.5 p -68.44 -24.13 64.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.352 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.77 110.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.073 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.06 -35.66 73.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.19 -54.15 14.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -64.34 -30.18 71.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.704 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 p -51.13 -58.46 6.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.682 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -59.38 -31.7 69.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.291 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.83 -31.72 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.507 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -88.13 -20.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.183 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.418 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -65.64 -22.07 66.62 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.713 -178.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.3 -19.91 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 74.0 t80 -89.61 -61.37 1.71 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.692 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -19.47 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.956 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 1.9 tt0 -84.84 -22.02 29.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.694 0.283 . . . . 0.0 111.293 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 -46.39 8.51 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 7.7 mp0 -55.27 -19.97 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.622 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.8 -30.85 4.74 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.026 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 158.22 150.39 5.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.848 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -60.16 -55.3 35.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.875 0.369 . . . . 0.0 110.96 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 6.9 pt-20 -73.52 -33.1 64.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 176.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.408 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -59.82 -28.32 67.37 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.868 176.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 42.2 t -80.34 -40.01 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.496 176.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' NE ' ' OD1' ' A' ' 25' ' ' ASP . 52.7 ttt-85 -51.89 -30.65 24.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.22 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.11 -38.92 84.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.75 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.89 -35.13 22.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.85 0.357 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 29' ' ' LEU . 48.6 t -62.67 -45.41 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.42 -39.74 74.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.301 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.54 -39.09 61.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 110.803 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 9.8 tp -70.16 -33.78 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.58 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.4 mtt -59.49 -40.35 86.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.758 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -64.33 -51.02 65.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.701 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.9 t -55.53 -25.61 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.7 mmt -79.17 -28.86 42.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -72.74 -33.36 66.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.65 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -30.61 64.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.83 -50.22 8.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.728 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.793 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.701 0.286 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.81 -33.73 3.46 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -65.54 101.29 0.58 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.172 0.51 . . . . 0.0 109.948 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 14' ' ' GLN . 38.2 p-10 -80.33 120.52 79.71 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.911 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.22 78.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.436 2.091 . . . . 0.0 112.165 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER 176.32 -66.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -77.56 -50.74 11.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.0 -102.56 1.09 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CE2' HD22 ' A' ' 40' ' ' LEU . 30.4 m-85 -97.88 178.19 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.71 78.19 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.788 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 m -61.67 -26.21 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -56.72 -36.81 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.1 29.95 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.73 147.46 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.21 134.94 42.37 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.15 -52.67 7.33 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.531 2.154 . . . . 0.0 112.366 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.43 -50.2 32.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.436 ' CB ' HD21 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.34 -34.95 61.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -54.6 -30.12 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.39 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -86.08 -22.17 27.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.936 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -69.99 -26.64 64.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -78.7 -58.74 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.69 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -51.9 -25.74 8.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.641 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -80.71 -44.0 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.06 -23.43 59.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.16 44.49 1.37 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.949 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.433 HG21 ' CB ' ' A' ' 39' ' ' GLN . 20.2 mt -128.15 150.78 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -132.65 -177.12 4.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.102 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -46.6 82.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.12 -28.88 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.433 ' CB ' HG21 ' A' ' 35' ' ' ILE . 5.0 mp0 -84.83 -32.06 23.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 HD22 ' CE2' ' A' ' 17' ' ' PHE . 24.4 mt -79.93 -41.85 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.079 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.8 p -59.65 -32.83 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.54 120.99 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.0 -25.38 60.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.9 -40.74 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.972 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.443 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.8 m -76.36 -33.7 58.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -54.85 -45.7 74.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.61 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -55.22 -21.46 14.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.597 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 45' ' ' THR . 2.8 mm? -84.67 -35.06 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.413 0.625 . . . . 0.0 110.153 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.5 mt -84.15 -21.39 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.111 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.451 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -74.61 -21.23 59.57 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.599 -179.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.17 -17.76 54.65 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.416 ' CG ' ' HG ' ' A' ' 85' ' ' LEU . 57.5 t80 -89.11 -61.31 1.73 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.525 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -65.7 -18.81 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.925 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 6.2 tm-20 -84.08 -38.56 20.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.722 0.296 . . . . 0.0 111.228 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -86.05 -35.81 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.735 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -55.71 -20.1 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.475 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.01 -27.89 4.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.673 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 143.74 154.09 6.04 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.388 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -65.59 -55.61 16.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.75 0.309 . . . . 0.0 111.677 -179.595 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -76.54 -30.33 57.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HB1' ' HA3' ' A' ' 58' ' ' GLY . . . -64.34 -27.16 68.83 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.237 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 2.3 t -73.7 -40.82 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -52.43 -28.88 21.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.062 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.57 -30.0 67.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.605 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -84.95 -55.84 3.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mtt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.701 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.85 0.357 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.16 -27.71 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.19 -34.78 61.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.343 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.98 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 ' HG ' ' CG ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -71.15 -48.06 54.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.7 mtt -55.63 -28.1 53.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -79.89 -29.9 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.706 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.51 -37.93 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 74.2 mmm -70.87 -36.37 72.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -55.43 -26.45 42.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.794 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -60.6 -64.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -43.61 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 CA--C 1.541 0.614 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.34 -29.9 0.28 Allowed Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 119.239 0.927 . . . . 0.0 111.235 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.511 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -86.8 151.39 23.4 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.916 0.388 . . . . 0.0 110.104 178.3 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.24 131.01 24.57 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.616 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.63 -22.24 16.6 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.366 2.044 . . . . 0.0 112.318 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.09 -81.53 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -51.0 -49.03 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.7 -102.69 2.89 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -96.56 151.42 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.07 76.89 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.67 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -61.15 -26.11 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.382 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -63.83 -30.0 71.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.729 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -140.12 44.48 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.854 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.28 146.34 54.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -69.71 119.21 69.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.767 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.77 -23.63 11.81 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.385 2.057 . . . . 0.0 112.55 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -61.23 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -63.76 -26.53 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.172 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -33.86 60.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.388 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.68 -31.06 46.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.534 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.77 -24.12 63.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.753 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 23.0 m-85 -85.3 -59.27 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.81 -24.07 21.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -88.85 -36.29 16.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -79.85 -23.15 42.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.07 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.89 40.89 1.78 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.63 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 36' ' ' SER . 28.6 mt -125.1 142.81 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -124.6 -177.2 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.049 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.01 -42.58 69.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.035 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.86 -44.69 59.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.137 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.417 ' CB ' HG22 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -72.94 -23.09 60.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.0 mt -88.36 -27.43 21.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.084 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.2 p -83.55 -44.22 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.42 131.81 33.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.43 -52.89 9.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.049 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -31.69 56.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 m -88.27 -45.51 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.223 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.4 p -46.73 -43.14 17.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 111.51 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -59.1 -57.3 13.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.514 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.77 -27.92 53.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 110.769 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.3 mt -80.26 -20.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.511 ' CE2' ' CZ3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -71.95 -30.22 65.08 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.438 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -54.73 -21.2 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.142 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 68.9 t80 -82.67 -61.33 1.91 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.326 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.459 HG23 HD11 ' A' ' 53' ' ' ILE . 2.5 mt -64.35 -18.26 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.696 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' OE1' ' CZ ' ' A' ' 50' ' ' TYR . 1.1 tt0 -83.85 -36.52 23.38 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 111.185 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -86.27 -36.18 19.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.654 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -55.6 -19.92 11.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.37 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.72 -20.22 7.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.221 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' VAL . . . 136.67 148.35 5.48 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.118 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -65.34 -55.51 17.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.816 0.341 . . . . 0.0 110.745 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 12.8 pt-20 -66.96 -33.28 75.24 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.86 -27.72 69.36 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.93 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 58' ' ' GLY . 23.0 t -83.45 -40.4 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.568 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -52.15 -33.17 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.454 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.35 -30.12 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.622 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -84.82 -51.02 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.952 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.9 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.908 0.385 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.9 t -80.43 -38.29 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.732 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.63 74.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.236 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.75 69.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 110.754 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 2.6 tp -78.04 -30.31 49.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.578 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.4 mtt -61.99 -39.45 92.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.498 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -67.99 -43.0 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.709 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.8 -24.01 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.038 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.4 mmt -81.36 -24.51 37.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.705 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -73.81 -32.87 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.683 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -50.08 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -50.39 71.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.793 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 179.8 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 10' ' ' GLY . 7.5 p . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 121.623 0.725 . . . . 0.0 112.426 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.417 ' N ' ' CG2' ' A' ' 9' ' ' VAL . . . -101.2 -38.3 3.35 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.949 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 1.6 t90 -70.95 129.73 39.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.053 0.454 . . . . 0.0 110.515 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -106.33 130.53 22.82 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.504 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.81 149.81 39.76 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.337 2.025 . . . . 0.0 112.261 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 69.72 7.81 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.933 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -123.9 -60.25 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.23 -131.89 10.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.412 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -98.01 145.39 26.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.884 0.373 . . . . 0.0 111.062 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.23 58.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.21 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.502 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 28.8 m -39.89 -31.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.119 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.431 ' N ' HG21 ' A' ' 19' ' ' VAL . 41.8 t30 -54.52 -39.51 67.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.97 0.414 . . . . 0.0 110.41 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -122.85 26.02 8.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.39 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.502 ' CD2' ' HA ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -53.11 153.15 3.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 -179.513 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.6 118.35 71.47 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -45.18 -29.16 3.99 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.588 2.192 . . . . 0.0 112.671 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' HB2' ' CD ' ' A' ' 63' ' ' ARG . 1.9 t0 -71.82 -61.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.976 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -28.47 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.074 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -33.69 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.432 . . . . 0.0 110.231 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.4 m -86.15 -30.35 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.29 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.51 -29.79 59.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.465 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -84.13 -48.35 9.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.743 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -57.43 -24.72 57.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.761 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -87.14 -25.17 24.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.68 14.41 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.6 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.85 38.69 89.48 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.878 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 35' ' ' ILE . 19.6 mt -125.95 147.96 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.976 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.81 179.2 5.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.7 -40.81 60.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.82 -53.42 25.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.444 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -62.23 -30.58 71.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.88 -41.35 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.2 p -66.77 -33.98 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.06 115.22 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -29.85 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -80.44 -50.09 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -67.46 -37.73 83.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -46.37 -59.36 3.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -38.56 82.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.239 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.1 -28.7 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.491 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.4 mt -88.49 -25.63 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.732 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.81 -21.19 66.73 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.632 -178.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -61.58 -17.37 54.76 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 27.7 t80 -88.63 -60.39 1.97 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.744 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.414 HD12 HG21 ' A' ' 53' ' ' ILE . 3.0 mt -67.58 -17.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.869 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 2.3 tm-20 -83.16 -33.03 26.33 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.49 -28.18 20.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.323 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -63.59 -12.8 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.642 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.35 -21.94 23.36 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.996 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' VAL . . . 142.66 148.68 5.01 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.322 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -65.82 -54.61 24.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.757 0.313 . . . . 0.0 110.837 -179.381 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 1.5 pt-20 -65.16 -31.48 72.68 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 175.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' HB1' ' HA3' ' A' ' 58' ' ' GLY . . . -66.49 -27.41 67.76 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.986 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' GLY . 42.5 t -76.06 -37.22 33.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.401 177.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.429 ' CD ' ' HB2' ' A' ' 25' ' ' ASP . 20.4 mtm180 -53.0 -34.15 55.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.798 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.96 -24.12 66.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.533 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 66' ' ' MET . 7.5 tm-20 -84.76 -54.84 4.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.672 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.404 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 40.7 mtp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.963 0.411 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.7 t -50.24 -50.07 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.981 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.96 -28.9 54.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.295 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.48 -30.04 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.903 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.481 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 1.1 tp -68.88 -44.9 72.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 14.0 mtt -51.09 -24.1 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -75.73 -39.73 56.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -63.18 -27.96 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 110.864 -179.429 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 46.9 mmm -80.35 -35.56 35.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.621 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -57.31 -27.09 61.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.423 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -67.24 -49.41 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.683 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -82.19 -23.49 35.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.044 179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 121.036 0.446 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.36 -31.77 2.73 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -65.78 104.76 1.12 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.18 0.514 . . . . 0.0 110.173 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.7 116.47 66.5 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -51.54 153.62 10.31 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.306 2.004 . . . . 0.0 112.329 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.17 0.96 3.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.771 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -128.62 -62.44 1.02 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.855 0.359 . . . . 0.0 110.738 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.39 -137.52 14.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.474 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.478 ' CE2' HD22 ' A' ' 40' ' ' LEU . 55.4 m-85 -77.55 176.21 9.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.47 55.61 0.86 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.501 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 22.0 m -47.56 -30.11 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.43 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -27.67 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.502 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -137.74 10.57 2.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.422 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.501 ' CD1' ' HA ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -68.97 153.43 43.82 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.05 0.452 . . . . 0.0 111.418 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.45 144.93 87.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -72.46 -37.45 4.25 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.657 2.238 . . . . 0.0 112.22 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.91 -47.16 86.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.69 -30.91 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.1 -37.66 74.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -32.34 65.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 tt -53.88 -25.05 18.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.793 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -87.93 -54.69 4.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -51.38 -25.57 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' NH1' ' HE1' ' A' ' 66' ' ' MET . 72.8 mtt180 -86.38 -38.79 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.58 -23.18 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.29 -20.0 10.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.674 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 mt -67.7 138.22 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 111.185 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.1 p -123.44 178.05 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.13 -35.84 27.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.21 75.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -22.58 51.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' A' ' 17' ' ' PHE . 19.8 mt -88.08 -31.8 19.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.111 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 p -72.66 -35.31 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -71.98 113.11 8.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.68 96.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.995 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.63 -37.25 67.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.9 m -81.25 -37.69 28.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.003 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -54.95 -39.13 68.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.02 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -51.83 67.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.344 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -22.82 66.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.692 0.282 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -88.15 -31.19 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.591 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.71 -20.96 66.63 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.08 -178.113 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.16 -17.68 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 85.1 t80 -85.93 -61.13 1.82 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.477 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -18.45 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.772 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -83.61 -31.56 26.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 178.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -43.21 18.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.91 -178.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -55.5 -20.21 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.688 0.28 . . . . 0.0 111.318 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.82 -28.78 5.58 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.869 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.441 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 152.97 152.62 6.05 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.586 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -64.06 -55.11 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 0.0 110.947 -179.145 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.46 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 7.4 pt-20 -72.56 -29.09 63.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.85 -27.32 67.44 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.006 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 11.0 t -71.12 -39.42 73.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.307 177.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -51.24 -31.5 21.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.812 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -72.0 -31.59 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.399 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.99 -47.7 9.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.994 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.421 ' HE1' ' NH1' ' A' ' 32' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.6 t -76.17 -43.22 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.27 -26.48 63.95 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.266 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.87 -33.11 74.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.975 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.404 ' HG ' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -74.35 -26.29 60.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.737 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.97 -39.09 90.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -68.62 -40.47 80.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.5 t -68.25 -20.82 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -28.5 55.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 0.0 110.525 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -58.69 -26.44 63.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.621 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -52.67 -40.73 63.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -75.63 -44.7 41.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.81 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.5 t . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.998 0.428 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.7 -32.52 8.01 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.745 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -79.15 136.05 37.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.98 0.419 . . . . 0.0 110.385 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -121.64 135.18 24.94 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.911 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -63.3 71.22 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.378 2.052 . . . . 0.0 112.06 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -174.05 -76.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.953 -179.599 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.8 -49.06 67.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.4 -118.35 4.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.572 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CD2' ' HA ' ' A' ' 40' ' ' LEU . 4.6 m-85 -88.19 158.21 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.953 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.4 39.8 2.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.423 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 11.7 p -45.55 -29.75 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.405 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -54.84 -48.13 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.011 0.434 . . . . 0.0 110.072 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -112.85 27.54 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.228 178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 19' ' ' VAL . 1.5 tp -52.83 136.82 33.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.077 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.58 142.14 85.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.7 -48.56 21.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.481 2.12 . . . . 0.0 112.206 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.427 ' CB ' ' HG3' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -58.09 -57.69 11.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.023 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -27.77 69.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -64.68 -31.99 73.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.4 p -80.98 -31.94 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.401 HD12 ' HB ' ' A' ' 82' ' ' VAL . 5.4 tp -58.03 -23.1 52.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.781 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -84.76 -63.85 1.26 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.6 p -50.11 -25.7 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.401 ' CB ' HG23 ' A' ' 82' ' ' VAL . 61.3 mtt180 -84.59 -26.64 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.78 -22.54 20.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.6 -22.65 9.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.76 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.436 HG23 HD13 ' A' ' 35' ' ' ILE . 29.3 mt -66.2 152.15 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.162 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.428 ' N ' HG22 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -132.6 -179.68 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.91 -34.92 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.31 69.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.425 ' CB ' HG21 ' A' ' 35' ' ' ILE . 5.8 mp0 -76.54 -35.35 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.996 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.449 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 21.5 mt -71.99 -45.45 60.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.3 p -59.92 -32.15 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.13 99.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.813 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.69 -27.84 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.293 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -77.96 -60.37 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -53.46 -25.7 17.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -39.06 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -27.0 61.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.143 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 48' ' ' LEU . 2.8 mp -70.25 -40.24 74.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.511 0.672 . . . . 0.0 109.384 177.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.5 mt -88.78 -21.08 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.1 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.29 -24.8 67.79 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.104 -0.639 . . . . 0.0 110.468 -178.465 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.51 -19.71 39.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 87.7 t80 -89.39 -57.66 2.8 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.793 -179.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.462 HD13 HG23 ' A' ' 53' ' ' ILE . 2.8 mt -71.02 -18.87 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 1.6 tm-20 -83.79 -36.13 23.79 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.832 0.348 . . . . 0.0 110.828 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -89.43 -34.77 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.203 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -55.98 -19.67 13.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.315 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.92 -23.96 7.22 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.058 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.437 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 141.21 149.44 5.24 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.283 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -62.54 -55.47 27.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.418 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.435 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 4.7 pt-20 -74.17 -32.47 63.1 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.4 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . . . -61.75 -26.35 68.02 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.997 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 5.2 t -73.6 -40.46 54.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.427 ' HG3' ' CB ' ' A' ' 25' ' ' ASP . 7.4 mtp180 -53.25 -30.63 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.975 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -70.34 -36.67 74.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.736 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.2 -45.41 12.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.6 mmm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.805 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.911 0.386 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.401 ' HB ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -80.17 -39.21 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.075 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.433 ' HA2' ' CE ' ' A' ' 86' ' ' MET . . . -55.63 -25.69 43.85 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.323 -0.941 . . . . 0.0 111.298 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.66 -32.87 60.34 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.017 0.437 . . . . 0.0 110.443 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 1.8 tp -64.36 -34.85 79.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.18 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.433 ' CE ' ' HA2' ' A' ' 83' ' ' GLY . 48.8 mtt -52.04 -39.79 60.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.483 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -59.52 -61.44 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.724 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.18 -25.39 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.166 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 mmt -80.19 -33.83 37.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.815 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -62.92 -28.96 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -47.65 84.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -72.66 -54.96 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 11' ' ' TRP . 7.1 p . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.128 0.49 . . . . 0.0 111.548 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' N ' ' CG2' ' A' ' 9' ' ' VAL . . . -104.21 -43.36 1.76 Allowed Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CE2' ' O ' ' A' ' 13' ' ' PRO . 48.8 t90 -71.16 115.93 10.88 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 173.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -157.34 78.97 3.59 Favored Pre-proline 0 N--CA 1.466 0.362 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -174.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' O ' ' CE2' ' A' ' 11' ' ' TRP . 70.9 Cg_endo -107.05 -88.86 0.0 OUTLIER 'Cis proline' 0 N--CA 1.44 -1.674 0 C-N-CA 125.698 -0.542 . . . . 0.0 110.835 -7.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.86 -7.09 31.37 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.63 -31.04 1.03 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.342 0.591 . . . . 0.0 109.928 178.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.22 162.63 14.41 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.822 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 40' ' ' LEU . 50.5 m-85 -52.59 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.925 -0.637 . . . . 0.0 111.188 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.74 47.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.276 178.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.2 m -40.81 -38.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.834 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -54.79 -32.57 60.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.66 29.23 5.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.84 126.45 27.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.992 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.17 143.45 97.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.9 -49.19 17.5 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.5 2.133 . . . . 0.0 112.288 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' CB ' ' CG ' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -51.05 -61.35 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.952 -179.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -57.26 -43.57 83.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.617 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -27.75 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -86.17 -26.58 25.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.568 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.428 HD13 ' CG2' ' A' ' 82' ' ' VAL . 8.5 tp -65.35 -22.95 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.755 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.438 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 8.3 m-85 -86.16 -59.65 2.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.839 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.61 -31.46 16.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -75.05 -24.49 58.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.43 -23.28 16.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.235 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.85 46.21 1.52 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.763 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.471 HD11 HG21 ' A' ' 35' ' ' ILE . 17.0 mt -125.67 155.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.941 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.433 ' N ' HG23 ' A' ' 35' ' ' ILE . 18.0 p -135.53 -178.66 5.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.275 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.82 -46.17 78.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.051 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.54 -42.79 34.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.44 ' CB ' HG22 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -67.61 -32.29 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.542 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 17.0 mt -82.53 -24.88 33.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.054 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.9 p -79.39 -36.32 39.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.962 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.57 137.85 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -41.34 22.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.358 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -38.83 75.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.062 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.8 m -73.24 -45.78 53.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.071 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 m -48.52 -26.61 2.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.225 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -56.45 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.078 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 pp -59.44 -32.08 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.3 mt -74.75 -37.04 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.486 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -63.54 -20.61 65.77 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.228 -177.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -59.59 -19.81 51.44 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.627 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CG ' ' OE1' ' A' ' 56' ' ' GLN . 12.3 t80 -89.87 -61.2 1.74 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.073 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.442 HG21 HD11 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -67.71 -19.48 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.053 -178.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 1.1 tm-20 -84.47 -28.8 26.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 111.041 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -90.06 -45.86 8.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.837 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 3.3 mp0 -55.19 -20.87 11.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 0.0 111.315 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.13 -32.62 2.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.208 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.432 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 150.77 160.5 9.41 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.833 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -63.94 -55.19 24.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.965 0.412 . . . . 0.0 110.643 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -82.08 -34.29 29.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . . . -57.91 -26.88 62.76 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.014 176.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 1.7 t -72.07 -41.07 67.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CG ' ' CB ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -52.92 -34.99 57.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.097 178.467 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -65.65 -33.3 75.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.365 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -39.45 18.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.744 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.598 0.237 . . . . 0.0 111.301 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' A' ' 29' ' ' LEU . 45.2 t -56.95 -37.2 53.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.808 0.337 . . . . 0.0 110.994 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.11 -33.31 78.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.668 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.73 -35.26 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.183 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.7 -44.63 66.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.6 mtt -45.39 -56.29 5.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.23 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -51.31 -61.49 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.39 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.0 t -47.32 -26.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.818 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.8 mmm -82.43 -23.72 34.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.719 0.295 . . . . 0.0 111.044 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -67.65 -24.79 65.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.838 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -31.77 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -74.8 -42.02 58.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.801 0.334 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.95 -173.17 39.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -133.34 162.44 31.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -92.87 129.96 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.64 151.25 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.734 HG23 ' H11' ' A' ' 108' ' ' WSK . 10.3 m -148.43 121.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.12 -15.26 51.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.434 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -83.82 6.69 20.46 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.792 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 6.2 p -79.97 153.61 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.088 0.47 . . . . 0.0 111.035 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.92 -31.64 6.88 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.571 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -87.85 151.45 22.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 0.0 110.613 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -149.98 147.94 23.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.0 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.93 68.39 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.648 2.232 . . . . 0.0 112.295 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -159.69 -70.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.983 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -77.73 -70.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.76 -115.08 2.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.537 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 8.1 m-85 -102.95 129.69 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -95.52 67.54 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 m -55.82 -41.09 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 p30 -54.95 -30.35 58.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -129.2 27.64 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -63.61 130.7 45.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.74 134.96 55.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.48 -58.71 1.58 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.475 2.117 . . . . 0.0 112.379 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.59 -57.82 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.27 -36.31 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -48.91 68.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.2 m -69.92 -31.08 68.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tp -58.4 -21.82 51.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -93.48 -53.69 3.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.745 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -26.93 9.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -78.14 -39.02 42.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.037 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' N ' ' CG1' ' A' ' 82' ' ' VAL . . . -75.82 -23.46 55.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.187 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.43 47.06 1.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 HD13 ' CD2' ' A' ' 85' ' ' LEU . 57.1 mt -125.74 138.89 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.733 0.301 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.6 p -116.63 -179.6 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.169 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' THR . 1.2 mt-10 -59.76 -23.6 63.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.39 93.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.164 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.9 -24.25 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mt -90.37 -21.52 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.326 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 37' ' ' GLU . 77.1 p -94.49 33.64 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.131 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.13 117.66 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.12 -23.38 54.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -78.95 -42.4 26.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.066 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.424 ' CG2' HD13 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -85.54 -31.41 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.9 p -50.1 -36.14 28.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -40.91 16.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.759 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.69 -32.5 67.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.717 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.424 HD13 ' CG2' ' A' ' 45' ' ' THR . 10.2 mt -88.04 -24.72 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.29 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.714 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -55.83 -21.74 21.29 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.374 -179.244 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -59.15 -18.6 37.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.67 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -87.14 -61.42 1.73 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.165 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.439 HD11 HG21 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -63.51 -18.61 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.31 178.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.705 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 3.2 tm-20 -83.88 -48.59 9.87 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.99 0.424 . . . . 0.0 110.98 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.26 -34.92 63.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.526 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -55.7 -21.07 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.174 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.05 -22.11 9.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.265 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.449 ' HA2' ' H8 ' ' A' ' 108' ' ' WSK . . . 142.05 141.39 3.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.62 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD2' 'BR2 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -56.52 -55.62 31.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 -179.36 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 2.2 pt-20 -70.41 -32.12 69.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.433 ' N ' ' HG3' ' A' ' 60' ' ' GLU . . . -64.13 -21.96 66.75 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.839 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 77.0 t -83.4 -37.92 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.451 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 -46.98 -44.82 20.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.17 -24.83 66.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.712 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -84.24 -48.57 9.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -34.71 58.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.646 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -28.79 70.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.805 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -35.49 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -96.3 68.59 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.68 -160.64 23.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.55 -95.73 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.5 m -132.82 59.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.26 -134.26 26.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.48 -104.41 2.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 t 176.91 49.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -118.05 104.11 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.5 t 61.3 120.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.5 m -93.44 -24.74 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.041 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.62 -160.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 81' ' ' LEU . . . 60.59 103.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.893 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 80' ' ' GLY . 12.4 tp 80.33 -54.06 0.36 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.634 0.254 . . . . 0.0 111.099 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 33' ' ' ALA . 19.5 t -75.59 -33.45 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.184 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.14 -21.9 57.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.585 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.35 -42.46 22.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 85' ' ' LEU . 3.9 tp -61.88 -24.95 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.782 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 mtt -71.23 -29.62 65.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.081 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -78.94 -27.01 43.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.2 t -72.57 -27.66 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 51.5 mmm -83.01 -24.6 32.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.65 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -60.55 -32.74 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.64 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -59.07 -42.42 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.75 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -78.89 -28.53 44.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.027 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 m -68.04 -37.73 81.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -64.22 -25.04 67.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.28 121.17 32.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.465 ' O ' ' CD2' ' A' ' 97' ' ' HIS . 3.0 mp -93.85 -54.6 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.762 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 96' ' ' ILE . 8.4 m-70 -176.48 46.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -85.96 -29.38 23.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.5 p -58.5 -36.95 74.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -104.59 42.16 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -97.11 123.08 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.8 67.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -73.02 126.19 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.982 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.9 -19.71 10.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.426 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -72.56 136.71 45.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 111.007 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -119.93 135.05 55.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.469 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.792 ' H10' ' CG2' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.0 p . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.761 0.315 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.43 38.19 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -70.28 82.29 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.98 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -142.82 98.7 3.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.868 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -108.3 102.33 11.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m -123.8 137.63 56.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.9 m -60.6 -41.63 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 74.69 76.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.675 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.537 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 3.7 p -167.87 149.49 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.07 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' HA3' 'BR2 ' ' A' ' 108' ' ' WSK . . . -76.23 -40.73 28.25 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.178 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' CH2' ' HG3' ' A' ' 13' ' ' PRO . 3.5 t90 -76.0 135.66 39.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.833 0.349 . . . . 0.0 110.454 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.36 135.79 27.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 35.3 Cg_exo -57.55 85.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.458 2.105 . . . . 0.0 112.272 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 172.92 -77.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -68.39 -46.71 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 -179.793 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.25 -101.01 2.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.54 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 14.8 m-85 -102.62 153.02 20.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.796 0.331 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -114.31 64.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m -53.07 -29.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -72.34 -29.94 64.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.49 34.21 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.012 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.15 136.79 39.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.59 148.85 95.35 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.992 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.13 -60.02 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 3.4 m-20 -54.38 -51.79 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -55.89 -43.0 76.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -44.28 75.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -25.69 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.766 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.13 -22.03 66.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.407 ' CE2' ' CD1' ' A' ' 26' ' ' LEU . 13.2 m-85 -90.61 -53.5 4.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -21.31 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -81.07 -24.67 37.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.042 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.59 -23.16 17.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.37 30.31 4.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.721 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.468 HD12 HG22 ' A' ' 35' ' ' ILE . 22.8 mt -107.63 132.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.019 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.4 169.45 8.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.179 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -52.14 -46.3 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.85 -38.64 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -76.98 -24.48 52.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -80.57 -32.34 36.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.959 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.1 p -69.7 -46.74 65.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.29 116.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.065 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.11 -52.42 65.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.002 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -53.71 -48.52 69.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.5 m -67.21 -37.08 83.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -52.76 -52.8 55.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.679 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -66.15 -34.6 78.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.563 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.76 -37.94 88.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.835 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.1 mt -87.34 -20.53 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.509 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.744 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -59.94 -20.54 58.03 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.724 -178.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.09 -17.79 42.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.83 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.478 ' CG ' ' HG ' ' A' ' 85' ' ' LEU . 60.4 t80 -86.31 -62.0 1.61 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.557 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.446 HG21 ' CD1' ' A' ' 59' ' ' LEU . 14.1 mt -64.25 -17.74 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.607 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.764 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 1.6 tt0 -82.95 -24.37 33.03 Favored 'General case' 0 CA--C 1.527 0.061 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.121 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -83.56 -47.15 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' OE1' ' CD2' ' A' ' 52' ' ' PHE . 6.1 mp0 -55.74 -23.74 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.14 -24.97 11.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.56 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.625 ' HA2' ' H8 ' ' A' ' 108' ' ' WSK . . . 158.31 -169.69 34.91 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.601 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.504 ' CD2' 'BR2 ' ' A' ' 108' ' ' WSK . 1.2 mp -84.7 -54.75 4.5 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.915 0.358 . . . . 0.0 110.308 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.46 -30.89 70.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB2' ' CA ' ' A' ' 58' ' ' GLY . . . -61.09 -39.36 89.63 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.495 176.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 56' ' ' GLN . 92.9 t -83.73 -53.89 10.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.887 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.432 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 16.0 mtm180 -47.17 -26.69 1.2 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.39 -28.55 46.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.283 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.22 -58.44 2.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.645 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -14.37 46.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.567 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -52.0 -39.52 59.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.842 0.354 . . . . 0.0 110.677 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 172.17 40.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.778 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -104.74 145.94 29.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.52 61.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.44 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.68 -101.11 2.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -114.61 28.9 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.73 -52.98 1.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.07 -117.63 4.38 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.654 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.2 m 77.7 41.08 0.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.401 . . . . 0.0 110.309 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -62.13 79.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.004 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 75' ' ' SER . 3.5 m 60.56 90.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 52.85 -163.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.51 -178.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.99 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.09 6.53 31.92 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.762 -0.733 . . . . 0.0 113.082 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.9 tp 171.89 -33.73 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 110.395 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.5 t -72.36 -29.68 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.946 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.83 -31.52 72.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.304 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.35 -51.75 54.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 110.836 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' HG ' ' CG ' ' A' ' 52' ' ' PHE . 1.8 tt -53.0 -34.13 54.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.724 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.2 mtt -53.12 -43.69 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -62.58 -40.99 98.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.638 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.55 -22.9 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.127 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.89 -26.71 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.549 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -61.57 -26.41 67.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.709 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -62.99 -50.74 69.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -56.42 -43.1 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.3 m -57.1 -44.81 83.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -47.73 78.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.31 101.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.388 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.6 mm -84.29 -42.57 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -75.7 88.56 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -37.16 84.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.744 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -66.64 -38.18 86.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.748 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 50.31 34.47 8.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.034 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -139.11 71.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -155.39 104.73 0.26 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.423 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -114.19 -20.89 10.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.669 0.271 . . . . 0.0 111.24 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.95 172.71 12.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 0.0 110.974 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -33.11 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.61 111.52 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.461 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.764 ' H9 ' ' HA ' ' A' ' 54' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.68 -57.46 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.589 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -100.25 137.1 39.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -57.74 124.05 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.67 97.38 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 7' ' ' SER . 13.2 p -178.93 144.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.114 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 6' ' ' VAL . 3.1 m -48.77 -27.28 2.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 110.784 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 64.71 49.43 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.401 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.612 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 4.6 p -51.71 150.8 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.828 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.48 -36.37 7.48 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.081 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.563 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 8.1 t90 -77.42 153.36 33.71 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.211 0.529 . . . . 0.0 110.591 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.426 ' CB ' ' HB2' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -133.3 144.78 53.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.381 178.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.4 -15.84 20.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.662 2.242 . . . . 0.0 112.848 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -116.64 -52.39 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 111.336 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.426 ' HB2' ' CB ' ' A' ' 12' ' ' ASP . 9.6 m-80 -47.53 -46.57 27.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.15 -159.8 30.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.511 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.533 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 4.5 m-85 -74.57 154.02 38.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.96 46.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.642 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.25 -24.78 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.28 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -54.99 -44.67 74.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.563 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -133.74 47.46 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.596 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.37 129.27 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.001 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.67 144.32 25.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.176 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.14 -54.87 4.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.515 2.143 . . . . 0.0 112.119 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -41.36 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -42.34 63.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -26.11 37.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.693 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -86.43 -27.86 23.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.392 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.3 tp -65.43 -21.88 66.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.865 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -90.58 -59.58 2.14 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.98 0.419 . . . . 0.0 110.951 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -48.83 -33.71 11.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -72.87 -37.44 67.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.37 -23.07 50.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.211 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.92 47.49 2.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.581 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.414 HD12 ' CD1' ' A' ' 85' ' ' LEU . 27.6 mt -122.93 140.53 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.93 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -109.36 -176.16 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.91 -35.84 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.59 -50.09 33.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.319 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.4 -33.19 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.43 -43.7 66.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.958 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.7 p -70.98 -32.15 68.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.71 109.46 2.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.25 68.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.41 -36.29 82.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.84 -29.41 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.715 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -51.1 -57.71 7.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -60.37 -28.88 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.207 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -73.82 -34.51 64.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.29 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.1 mt -88.09 -20.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.155 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.696 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -67.03 -22.72 65.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.649 -179.059 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.71 -17.88 50.85 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 77.7 t80 -88.53 -57.39 2.93 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.542 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.418 HD12 HG22 ' A' ' 53' ' ' ILE . 1.5 mt -70.18 -18.88 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.764 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.667 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 12.5 tm-20 -84.25 -36.16 22.89 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.82 0.343 . . . . 0.0 111.046 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -81.08 -41.37 22.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.628 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -55.54 -20.71 14.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 0.0 111.222 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.62 -28.35 5.74 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.121 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.438 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 153.17 149.18 5.09 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD2' 'BR1 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -59.71 -55.47 33.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.809 0.337 . . . . 0.0 110.988 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 8.7 pt-20 -74.15 -33.8 63.63 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' HB1' ' HA3' ' A' ' 58' ' ' GLY . . . -58.67 -26.71 64.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.034 176.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 36.5 t -79.49 -39.3 20.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.428 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -53.65 -31.4 47.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.123 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -77.1 -29.73 54.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.494 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -84.01 -46.15 12.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -35.96 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.763 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -71.13 -43.59 67.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.26 -32.17 66.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.92 95.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.24 -127.01 8.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.542 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.59 -175.08 6.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.65 47.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.66 -23.44 30.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -76.41 151.82 40.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.626 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.7 t -133.86 43.58 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -87.29 145.4 26.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.5 p -137.32 119.03 15.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.68 148.79 36.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -73.84 66.52 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.0 -106.24 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.367 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -56.66 -27.4 58.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.658 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.37 -42.29 95.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.664 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.86 79.18 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.028 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.4 69.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.649 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 5.1 tp -67.28 -38.44 85.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.389 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.9 mtt -57.39 -40.42 78.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -68.69 -36.71 78.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.982 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.6 t -62.23 -30.42 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 68.2 mmm -79.19 -31.64 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -68.9 -32.45 72.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -34.32 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.1 tpt85 -77.28 -36.26 54.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.717 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -52.91 46.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -86.38 -47.07 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.793 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 59.86 112.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.152 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.421 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 3.2 mp -111.77 -25.49 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -69.87 63.81 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.0 t -84.42 -25.34 29.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.16 -26.54 63.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.94 -69.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -95.92 -77.1 0.49 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.964 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 56.54 85.85 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.57 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -106.35 148.05 28.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.44 -176.01 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -71.86 -41.25 68.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -51.52 123.05 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.551 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.696 ' H1 ' ' CA ' ' A' ' 50' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.857 0.361 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.45 -67.59 0.49 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.93 121.34 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -140.71 90.08 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 8.1 p80 -54.35 115.87 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.6 m -148.9 129.14 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.184 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.0 t -81.79 -27.67 33.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.415 ' O ' ' CG2' ' A' ' 9' ' ' VAL . 0.1 OUTLIER 71.69 88.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.186 179.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.535 HG23 ' H10' ' A' ' 108' ' ' WSK . 89.1 t -158.65 149.1 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.556 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.93 -31.7 22.87 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.88 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.413 ' CE3' ' C ' ' A' ' 11' ' ' TRP . 2.3 t90 -86.79 148.08 25.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.68 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -146.16 152.83 47.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.81 63.0 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.656 2.237 . . . . 0.0 112.308 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.61 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -58.53 -50.21 74.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.96 -93.8 1.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 3.4 m-85 -119.49 115.7 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.972 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.52 68.26 10.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.6 m -55.96 -30.13 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.1 p30 -59.88 -42.04 92.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.032 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -120.99 36.18 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.24 125.84 26.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.775 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.59 138.53 60.94 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.886 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.24 -56.83 2.39 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.504 2.136 . . . . 0.0 112.296 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.53 -51.74 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -26.94 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.693 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -55.72 -43.32 76.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.797 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 m -75.42 -26.94 58.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.438 ' CD1' ' HG ' ' A' ' 81' ' ' LEU . 4.4 tp -67.02 -17.58 64.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.192 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CZ ' HD13 ' A' ' 53' ' ' ILE . 9.8 m-85 -101.41 -60.23 1.56 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.885 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -50.06 -29.7 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -77.7 -31.51 52.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.192 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.96 -23.07 41.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.225 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.94 52.42 0.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.582 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.439 ' CG2' HD21 ' A' ' 40' ' ' LEU . 21.1 mt -128.23 137.48 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.29 166.08 17.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.42 ' O ' ' CG2' ' A' ' 41' ' ' THR . 0.3 OUTLIER -45.29 -39.13 6.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.335 -179.602 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.65 -33.53 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.4 -56.75 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 HD11 ' CD2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -59.32 -47.08 86.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.633 -179.189 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 37' ' ' GLU . 66.7 p -50.13 -27.06 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.991 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -80.89 122.48 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.1 94.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.89 -38.34 90.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.7 m -72.2 -29.75 64.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.4 m -62.4 -57.96 9.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.73 -48.98 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.22 -35.18 62.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 21.0 mt -88.36 -22.09 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.494 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.712 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -58.9 -20.42 51.34 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.691 -179.246 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -18.28 32.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.504 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -86.0 -61.58 1.72 Allowed 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.535 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.471 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 1.1 mt -64.64 -17.95 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.632 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.71 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 7.4 tm-20 -83.45 -41.32 18.19 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.931 0.396 . . . . 0.0 110.77 178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -77.86 -34.64 51.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.128 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -55.85 -20.6 16.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' O ' ' H14' ' A' ' 108' ' ' WSK . . . 116.21 -19.36 13.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.339 -179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' VAL . . . 141.37 137.48 3.41 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.246 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.488 ' CD2' 'BR1 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -56.28 -55.48 32.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.736 0.303 . . . . 0.0 111.329 -179.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.53 -31.49 69.73 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.5 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.78 -25.49 67.94 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.441 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 58' ' ' GLY . 88.4 t -83.89 -36.22 11.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.178 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -46.43 -27.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 60' ' ' GLU . 2.9 mp0 -62.07 -42.69 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.93 -48.53 13.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.73 -25.65 11.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -59.97 -39.96 87.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -173.62 78.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -72.95 179.36 3.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 138.73 150.45 5.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.43 -127.34 1.03 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.4 m -138.26 170.43 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.44 -37.89 2.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.588 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.39 57.79 0.66 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.545 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 m -121.16 47.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -60.49 105.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m 63.73 94.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 p -166.17 141.51 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.35 82.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.89 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.85 -87.36 0.68 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.438 ' HG ' ' CD1' ' A' ' 29' ' ' LEU . 15.8 tp -51.72 -25.75 7.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.73 0.3 . . . . 0.0 110.979 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.4 t -85.96 -42.37 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.192 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -50.03 -42.01 38.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.95 -40.12 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 tp -66.93 -41.73 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.3 mtt -52.72 -27.21 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -78.5 -21.26 49.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.075 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.0 t -89.22 -20.5 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.408 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.27 -26.17 35.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.01 -31.03 68.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -29.18 62.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -81.18 -53.22 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 p -60.26 -24.31 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.4 -27.42 15.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.87 -90.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.757 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.4 mp 56.69 94.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.712 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -47.87 108.37 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.1 t -85.01 -24.64 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 m -60.95 -52.24 65.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 t70 71.16 -62.64 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -99.79 168.56 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.09 -65.27 1.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -99.95 94.98 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -76.86 112.28 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.041 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.4 159.77 31.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.71 144.31 42.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.042 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.508 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.712 ' H1 ' ' CA ' ' A' ' 50' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.837 0.351 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.16 138.55 18.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.576 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -97.23 137.79 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.83 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -151.54 99.17 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.465 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 2.8 m170 -88.61 109.97 20.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.79 101.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.208 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.8 -47.91 70.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 74.71 120.39 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.695 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 3.4 p -119.02 152.53 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.829 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.23 -40.08 7.1 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.993 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CD1' ' HA2' ' A' ' 16' ' ' GLY . 6.4 t90 -69.77 146.86 51.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.119 0.485 . . . . 0.0 110.416 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -120.37 160.72 42.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.769 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.94 -0.15 9.11 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.843 2.362 . . . . 0.0 112.967 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -113.38 -84.38 0.59 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.706 0.289 . . . . 0.0 111.138 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -49.4 -64.52 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.976 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.425 ' HA2' ' CD1' ' A' ' 11' ' ' TRP . . . 112.14 -97.83 0.94 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.694 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.542 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 11.6 m-85 -93.83 132.51 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.272 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -91.81 51.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.142 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 20' ' ' ASN . 7.2 p -44.82 -27.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.814 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.428 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -59.06 -54.62 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.959 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.56 42.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 127.25 32.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.14 136.46 80.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -51.58 -51.62 10.78 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.414 2.076 . . . . 0.0 112.17 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.08 -53.09 37.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.76 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -67.03 -39.87 87.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.68 179.544 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -57.55 -32.12 66.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -79.52 -27.32 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.393 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' CD2' ' O ' ' A' ' 29' ' ' LEU . 3.5 tt -64.12 -29.03 70.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.704 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.439 ' CE2' HD11 ' A' ' 26' ' ' LEU . 17.9 m-85 -82.95 -55.84 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.836 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.22 -25.88 4.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.96 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' CB ' HG11 ' A' ' 82' ' ' VAL . 2.4 mtt85 -84.84 -43.68 13.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.984 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.88 -22.64 65.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.282 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.0 40.36 2.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.563 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.402 HD12 HG21 ' A' ' 35' ' ' ILE . 24.9 mt -119.64 147.74 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.7 p -120.27 -177.14 3.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.191 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -39.06 79.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.03 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.75 -49.69 47.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -36.86 83.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 36.6 mt -74.33 -45.44 47.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 p -63.45 -44.84 93.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.117 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.09 104.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.005 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.44 -32.25 57.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -59.26 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -61.31 -31.03 70.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.7 m -51.11 -58.97 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.588 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -56.49 -36.22 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.201 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.62 -33.68 76.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.274 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.9 mt -87.82 -22.85 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.04 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.707 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -65.17 -21.54 66.79 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.699 -178.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 32.8 t70 -59.78 -17.79 38.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 175.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 62.4 t80 -89.32 -61.34 1.72 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.435 ' CG2' ' HB2' ' A' ' 59' ' ' LEU . 5.6 mt -64.08 -18.24 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.148 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.724 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 1.5 tm-20 -80.21 -50.33 10.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.879 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -60.37 -44.12 95.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.833 -178.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.48 -20.05 11.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.355 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.45 -26.55 9.0 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.967 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.622 ' HA2' ' H8 ' ' A' ' 108' ' ' WSK . . . 156.08 147.93 4.89 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.654 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.483 ' CD2' 'BR1 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -60.14 -54.93 40.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.885 0.374 . . . . 0.0 110.704 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 3.2 pt-20 -69.85 -32.71 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.24 -27.74 69.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.932 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 54.3 t -77.23 -40.36 29.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.522 177.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -52.15 -30.04 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.159 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -68.25 -30.4 69.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.631 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.88 -53.36 5.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.012 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -44.5 58.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ttt85 -62.95 -24.95 68.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -148.66 63.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.002 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -73.77 140.63 46.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.23 -82.04 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.563 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.41 -128.97 1.82 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.508 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.07 149.66 39.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.68 69.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.548 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.3 -175.58 6.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.53 66.52 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -100.34 79.01 2.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.018 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -172.84 111.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.1 p -72.66 -162.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -73.79 65.61 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.37 -70.86 1.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.431 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 tp -55.87 -40.96 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 110.783 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.43 HG11 ' CB ' ' A' ' 32' ' ' ARG . 58.8 t -74.44 -34.29 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.991 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.5 -30.62 71.02 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.342 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.74 -24.74 62.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 111.048 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' HG ' ' CD1' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -83.74 -44.66 14.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.811 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.8 mtt -52.1 -24.94 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -85.05 -31.66 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.053 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.1 t -73.31 -25.59 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.258 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 76.9 mmm -82.03 -24.94 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -70.07 -38.43 75.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -52.8 -45.94 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.13 -47.53 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 t -50.39 -55.98 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.212 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -75.69 -54.16 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.061 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.46 101.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.262 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.9 mm -75.08 -31.7 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -129.4 115.89 18.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -36.42 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.009 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -60.35 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 t0 69.19 -66.58 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -174.04 102.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.73 143.28 6.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.424 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.43 97.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -117.25 139.66 50.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -130.18 159.44 36.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.14 97.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.325 -1.264 . . . . 0.0 112.491 -179.867 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.724 ' H9 ' ' HA ' ' A' ' 54' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.813 0.34 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.68 -31.06 70.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.45 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.59 135.22 46.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -147.48 92.91 2.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -62.44 108.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.12 137.17 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.47 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 15.0 t -76.9 -32.56 57.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.473 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 40.9 p-80 45.68 55.39 6.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.517 HG22 ' H13' ' A' ' 108' ' ' WSK . 7.9 p -108.22 151.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.568 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.1 -28.7 9.05 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.732 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.426 ' CH2' ' HG3' ' A' ' 13' ' ' PRO . 4.2 t90 -82.44 141.17 32.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.948 0.404 . . . . 0.0 110.912 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -143.8 137.89 14.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.747 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 52.3 Cg_exo -55.25 84.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.575 2.183 . . . . 0.0 112.373 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -176.32 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -103.59 -55.44 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.28 -98.7 1.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.33 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.533 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 21.1 m-85 -103.97 175.7 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.857 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -139.34 33.78 2.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 14.7 p -39.91 -30.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.958 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -66.92 -49.32 65.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.949 0.404 . . . . 0.0 110.734 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.61 32.71 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.358 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASP . 1.0 OUTLIER -103.92 139.19 39.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.511 -179.201 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.42 167.81 0.29 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.527 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -79.56 -38.25 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.797 2.331 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -51.26 55.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.697 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.53 -25.93 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.72 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -56.81 6.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.794 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 m -60.02 -32.45 70.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.437 HD11 ' CE ' ' A' ' 66' ' ' MET . 10.9 tp -56.71 -22.89 38.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.895 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 85' ' ' LEU . 31.4 m-85 -94.89 -55.61 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -24.95 3.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -83.36 -24.86 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.08 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.77 -23.22 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.196 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.22 33.72 2.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.603 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.6 mt -122.78 135.02 64.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -103.42 178.76 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -39.19 88.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.18 -46.35 45.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -34.81 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.4 mt -72.33 -23.51 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.7 p -99.68 40.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.91 134.73 49.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.929 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.17 -36.07 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -79.38 -31.99 43.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -86.09 -24.86 26.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -59.32 -57.89 11.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.031 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -55.84 -27.3 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.59 -34.38 62.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.651 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.7 mt -88.39 -25.72 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.828 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.709 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -56.12 -20.85 19.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.751 -178.433 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.86 -17.83 39.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.717 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 60.9 t80 -85.65 -61.36 1.78 Allowed 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.453 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.44 ' CG2' ' HB2' ' A' ' 59' ' ' LEU . 1.6 mt -64.37 -17.5 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.584 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.736 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 0.9 OUTLIER -83.35 -47.94 10.93 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.829 0.347 . . . . 0.0 111.02 179.03 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -38.33 80.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.344 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -55.92 -20.26 15.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.227 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.87 -26.89 8.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.298 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.467 ' HA2' ' H8 ' ' A' ' 108' ' ' WSK . . . 154.36 141.69 3.3 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.59 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.491 ' CD2' 'BR2 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -56.43 -55.19 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.882 0.372 . . . . 0.0 111.069 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 9.7 pt-20 -70.28 -33.7 71.89 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . . . -62.39 -22.44 66.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.621 177.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' GLY . 62.8 t -83.43 -47.93 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.671 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -46.95 -27.19 1.19 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.86 -30.39 67.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -84.04 -50.89 7.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.437 ' CE ' HD11 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.46 -28.25 12.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.005 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -75.17 -36.92 61.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -57.2 -57.26 13.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -133.34 172.0 13.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.965 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.47 -101.49 0.16 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -158.2 -179.41 33.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 t -173.71 73.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -167.94 -61.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.538 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.18 -161.88 12.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 p -144.77 45.1 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.368 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -124.14 -83.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.118 0.485 . . . . 0.0 111.066 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -119.09 145.01 46.28 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.013 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -105.49 -23.74 12.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.37 179.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.45 -102.23 1.83 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.444 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.8 tp -58.29 -41.76 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 110.806 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.415 ' CG2' HD12 ' A' ' 29' ' ' LEU . 21.2 t -79.96 -30.37 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.004 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.43 -39.63 84.14 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.63 85.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 2.8 tp -56.85 -42.7 80.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.8 mtt -52.04 -32.01 32.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -75.87 -20.91 57.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 31.2 t -86.71 -20.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.617 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.58 -37.67 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.787 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -52.12 -35.64 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -67.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.071 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -44.73 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.97 -31.44 3.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.317 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.41 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 48.35 80.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.266 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.8 mm -111.49 -43.62 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.029 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 97' ' ' HIS . 19.7 p80 -149.9 55.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -25.96 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 p -55.18 -35.08 64.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -114.78 67.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -128.1 -174.96 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.8 31.47 39.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -112.14 -74.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.988 0.423 . . . . 0.0 111.014 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -111.37 46.16 1.13 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -117.07 152.59 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.45 112.97 14.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.524 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.736 ' H9 ' ' HA ' ' A' ' 54' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.63 161.4 22.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -74.37 143.25 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 133.33 51.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -99.19 102.1 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 m -83.86 123.52 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.1 m -71.8 -35.15 69.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.035 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.1 78.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.179 0.514 . . . . 0.0 110.922 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.543 ' HB ' ' H10' ' A' ' 108' ' ' WSK . 3.1 p -63.37 157.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.403 ' N ' ' CG2' ' A' ' 9' ' ' VAL . . . -93.84 -42.11 4.21 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.237 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -64.48 130.39 43.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.007 0.432 . . . . 0.0 110.419 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -115.59 128.19 26.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.018 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.63 72.32 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.445 2.096 . . . . 0.0 112.123 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER 177.04 -61.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.59 -48.93 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.736 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.8 -124.8 6.65 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.59 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.542 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 1.7 m-85 -92.02 141.06 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.036 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -91.88 51.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.473 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.65 -29.72 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.459 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -57.27 -44.94 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.004 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.49 43.37 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.4 139.1 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.27 131.52 93.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.732 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.65 -42.84 48.57 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.422 2.081 . . . . 0.0 112.386 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -58.59 6.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -58.91 -36.67 75.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.731 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -54.69 -49.91 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.672 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -27.51 67.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -24.81 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -85.24 -63.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -50.27 -25.64 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.995 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -80.78 -31.44 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.2 -23.15 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.43 39.74 1.32 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.635 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.416 HG22 ' CB ' ' A' ' 39' ' ' GLN . 21.4 mt -127.59 155.01 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -132.59 178.93 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.76 -43.08 76.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.89 -33.29 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' CB ' HG22 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -77.97 -34.44 51.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.018 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.441 HD23 ' CE2' ' A' ' 17' ' ' PHE . 27.7 mt -75.8 -33.68 60.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.979 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.4 p -67.72 -25.89 65.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.65 114.92 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -47.42 85.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.74 -37.15 86.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.9 m -75.88 -24.97 55.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.043 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -67.67 -34.79 77.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -53.15 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.312 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.96 -26.18 68.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.339 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.0 mt -88.05 -24.61 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.56 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.681 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -67.57 -23.86 65.45 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.448 -179.34 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 52' ' ' PHE . 52.5 p-10 -58.66 -19.17 36.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.782 0.325 . . . . 0.0 110.133 176.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 18.6 t80 -87.27 -61.11 1.8 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.377 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.454 HG22 HD13 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -64.9 -18.88 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.541 178.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.7 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 2.0 tt0 -84.21 -48.2 10.04 Favored 'General case' 0 CA--C 1.527 0.069 0 CA-C-O 120.865 0.364 . . . . 0.0 111.148 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -76.65 -37.94 55.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.858 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -55.65 -21.25 17.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.705 0.288 . . . . 0.0 111.209 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.42 -29.2 4.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.279 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' VAL . . . 146.54 154.13 6.1 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.449 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD2' 'BR1 ' ' A' ' 108' ' ' WSK . 0.5 OUTLIER -62.06 -55.04 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.929 0.395 . . . . 0.0 110.933 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -81.1 -33.53 33.24 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.3 -28.9 65.42 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.76 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 58' ' ' GLY . 2.9 t -81.42 -37.38 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.375 177.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.71 38.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.263 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -74.42 -27.65 60.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.513 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.31 -38.13 19.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.158 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -38.06 37.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.973 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -83.26 -27.67 29.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -41.19 98.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.858 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.85 137.58 20.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -168.99 -164.11 24.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.583 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -155.25 135.35 4.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.417 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.31 77.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.32 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.24 -52.44 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.31 -160.82 11.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.641 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -102.06 93.78 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.71 74.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.4 m -66.82 157.28 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.744 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 m -157.72 -172.16 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -7.39 40.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.592 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 81' ' ' LEU . . . -43.98 131.93 6.63 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.552 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' HB3' ' O ' ' A' ' 80' ' ' GLY . 34.5 tp 78.76 -54.36 0.46 Allowed 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 122.697 0.399 . . . . 0.0 111.387 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.5 -30.17 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 111.041 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.35 -36.9 70.3 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.989 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.32 -26.89 8.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.612 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.439 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -85.0 -38.05 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.667 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.1 mtt -55.85 -34.57 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.81 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -75.04 -26.17 59.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.984 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.8 t -81.04 -21.03 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.424 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.3 mmt -79.84 -23.68 41.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -27.82 67.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -61.71 -48.96 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.61 -39.63 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 t -81.97 -26.67 33.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -19.92 54.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.65 120.47 33.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.201 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.2 mp -120.3 19.77 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -69.98 101.56 1.81 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.845 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 t -72.02 -23.74 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -35.63 12.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.89 -70.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -64.96 82.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.978 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.25 -121.55 0.92 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.05 177.01 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -117.89 107.46 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.58 98.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.77 124.92 26.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.428 -179.759 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.7 ' H2 ' ' CA ' ' A' ' 54' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.751 0.31 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.6 -68.55 1.39 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.77 169.91 8.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -98.75 157.92 15.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.819 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.6 103.68 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 m -140.24 138.25 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.23 -41.56 60.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.678 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 61.58 40.19 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.179 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.766 ' CG1' ' H10' ' A' ' 108' ' ' WSK . 62.3 t -131.18 154.77 41.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.159 0.504 . . . . 0.0 111.416 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' HA3' 'BR2 ' ' A' ' 108' ' ' WSK . . . -84.98 -46.79 5.53 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.831 178.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -70.32 130.52 42.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.018 0.437 . . . . 0.0 110.467 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 14' ' ' GLN . 25.6 p-10 -116.85 140.04 26.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.762 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 23.0 Cg_exo -63.95 67.96 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.552 2.168 . . . . 0.0 112.336 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -150.97 -74.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -97.28 -41.33 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.18 -91.68 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.54 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 48.9 m-85 -107.18 -178.81 3.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 111.038 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -137.59 67.48 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.611 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.9 m -46.43 -31.98 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.559 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -56.94 -26.85 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -144.07 32.57 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.57 136.46 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.034 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.43 147.77 36.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.12 -38.45 4.94 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.692 2.261 . . . . 0.0 112.478 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -69.35 -38.65 78.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD1' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -75.52 -41.31 55.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.09 -29.96 14.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.944 0.402 . . . . 0.0 110.666 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -84.24 -35.13 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.606 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 52' ' ' PHE . 2.4 tt -53.23 -26.49 17.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE2' HD22 ' A' ' 40' ' ' LEU . 24.9 m-85 -84.41 -54.76 4.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.883 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -49.83 -25.04 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -87.22 -30.27 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.45 -23.35 26.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.07 47.9 1.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.783 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.424 HG22 HD13 ' A' ' 35' ' ' ILE . 18.8 mt -127.75 149.17 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.714 0.293 . . . . 0.0 110.932 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -125.54 -168.4 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.239 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -44.72 85.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.159 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.65 -30.97 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.443 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -80.4 -40.69 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 18.9 mt -72.46 -42.3 65.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.3 p -61.1 -34.18 74.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.092 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -65.96 125.77 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.047 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.49 64.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -73.53 -49.6 25.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 m -69.74 -28.76 66.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -59.31 -59.13 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.437 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -31.89 54.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.081 0.467 . . . . 0.0 109.974 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.82 -34.11 73.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.165 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.9 mt -88.43 -20.49 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.114 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.735 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -67.99 -21.99 65.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.692 -178.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.33 -18.05 47.18 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 80.7 t80 -87.72 -60.83 1.86 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.491 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.444 HG22 HD11 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -66.04 -17.63 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.863 179.242 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.694 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 0.5 OUTLIER -80.78 -25.41 37.94 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.955 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.07 -44.02 20.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 52' ' ' PHE . 2.3 mp0 -57.9 -24.21 56.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.06 -26.28 9.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.473 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 156.24 -170.63 33.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.79 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.523 ' CD2' 'BR2 ' ' A' ' 108' ' ' WSK . 2.8 mp -83.79 -54.43 4.91 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.908 0.385 . . . . 0.0 110.39 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -64.48 -29.81 70.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 173.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' GLU . . . -62.29 -31.89 72.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.833 176.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 53.4 t -83.51 -44.76 18.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.329 178.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -50.66 -42.6 56.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -50.57 -42.48 55.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.786 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.02 -38.92 18.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.028 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -20.52 61.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.25 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -47.31 -55.93 7.8 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.857 0.36 . . . . 0.0 111.112 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 172.47 80.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -162.91 66.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -159.16 -66.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.84 -55.72 13.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.9 94.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.31 17.37 43.05 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.612 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 166.03 159.79 12.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.579 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.35 26.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -102.13 10.02 39.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.62 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.49 90.93 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.075 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.1 p -148.69 119.39 7.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.87 -51.31 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.76 -104.87 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.375 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -27.02 60.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 0.0 110.793 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.46 -45.67 89.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.19 -40.41 67.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.417 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.47 -40.37 71.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 3.8 tp -67.01 -30.1 70.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.681 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 22.1 mtt -65.15 -45.22 85.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.823 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.49 -45.99 90.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.42 -21.37 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.9 mmt -83.14 -25.67 31.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 0.0 110.793 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.92 -31.92 64.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -64.33 -28.58 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -49.95 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.983 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 t -65.28 -30.28 71.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -72.67 -24.57 61.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.007 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.25 111.65 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.22 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.5 mp -121.54 -57.53 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -95.37 92.87 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.764 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -84.99 -32.89 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.019 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.7 p -76.13 -54.47 6.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.74 25.28 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.71 -26.9 34.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.23 -98.09 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.423 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -122.49 29.78 6.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 61.8 102.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -139.87 -62.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.019 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.54 121.09 27.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.498 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.766 ' H10' ' CG1' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.806 0.336 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.57 -119.85 1.5 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -138.75 131.51 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.38 110.2 10.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -100.58 110.28 22.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 m -119.67 75.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.039 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 14.2 t -67.09 -35.92 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.48 ' CG ' ' O ' ' A' ' 7' ' ' SER . 17.3 p-80 45.44 56.7 5.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.015 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.747 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 7.3 p -113.3 146.84 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.202 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.401 ' HA3' 'BR1 ' ' A' ' 108' ' ' WSK . . . -80.94 -35.05 25.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.7 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -84.13 142.57 30.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.779 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' GLN . 31.4 m-20 -144.81 151.79 50.48 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.829 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.55 68.91 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.559 2.172 . . . . 0.0 112.25 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.1 mt-30 -151.72 -83.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -84.42 -47.73 10.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.49 -91.53 1.06 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CE1' 'BR2 ' ' A' ' 108' ' ' WSK . 13.5 m-85 -108.51 178.92 4.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -179.62 69.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.971 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 22' ' ' LEU . 20.5 m -43.75 -29.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.456 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.5 -51.07 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.821 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -104.79 21.9 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 19' ' ' VAL . 1.3 tp -105.03 134.7 47.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.9 146.55 27.57 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.36 -35.02 14.64 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.58 2.187 . . . . 0.0 112.021 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.6 -48.99 57.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.626 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.71 -29.71 61.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -58.13 -46.15 86.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.452 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.6 m -69.74 -26.66 64.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.514 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.11 -22.9 62.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.699 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 53' ' ' ILE . 6.6 m-85 -89.66 -63.77 1.24 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.02 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.5 m -48.39 -34.88 11.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.114 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' CB ' HG13 ' A' ' 82' ' ' VAL . 31.0 mtp85 -67.69 -28.4 67.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.51 -23.02 43.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.19 34.65 2.48 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mt -116.7 142.16 31.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.37 178.77 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -38.02 84.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.91 -49.71 68.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.32 -27.04 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.5 mt -82.32 -43.98 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.084 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.9 p -64.11 -25.25 68.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.51 118.83 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.02 93.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -40.47 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 49' ' ' ILE . 57.8 m -86.18 -30.63 22.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 12.2 p -49.85 -59.62 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.266 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' ' OG ' ' A' ' 46' ' ' SER . 14.0 ptmt -64.9 -30.48 71.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.58 -34.35 78.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.508 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.418 ' CD1' HG21 ' A' ' 45' ' ' THR . 59.0 mt -88.39 -20.84 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.415 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.723 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -58.8 -20.69 52.48 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.819 -178.215 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -58.51 -17.87 24.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.606 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -86.4 -61.78 1.66 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 9.4 mt -64.31 -17.43 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.743 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -83.13 -30.23 28.06 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 178.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -79.55 -41.24 27.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.375 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.26 -21.82 15.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.003 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.92 -21.94 13.08 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.288 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.486 ' HA2' ' H8 ' ' A' ' 108' ' ' WSK . . . 154.44 136.42 2.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.487 ' CD2' 'BR1 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -54.67 -54.99 34.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.784 0.326 . . . . 0.0 111.036 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -70.41 -31.38 68.56 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.497 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.99 -19.94 66.03 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.745 177.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 78.9 t -82.93 -32.59 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.698 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -47.58 -28.53 2.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -30.67 30.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -74.62 -49.01 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -40.17 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -58.52 -40.31 82.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.25 -36.44 84.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -58.79 90.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.99 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 167.3 129.12 1.04 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 170.54 -115.66 0.6 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.596 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.33 173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.58 -78.32 1.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.539 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.27 -94.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -168.38 74.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.26 131.74 52.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.2 t -154.9 93.49 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' GLY . 87.0 p -124.74 131.23 53.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 43.95 -91.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.423 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 78' ' ' SER . . . 47.47 96.44 0.01 OUTLIER Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.556 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' CB ' ' O ' ' A' ' 80' ' ' GLY . 14.1 tp 82.45 -52.39 0.21 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.481 0.313 . . . . 0.0 111.236 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.42 HG13 ' CB ' ' A' ' 32' ' ' ARG . 11.0 t -78.32 -22.45 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.342 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.25 80.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.464 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.94 -48.92 62.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.98 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.8 tp -50.49 -47.41 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.5 mtt -51.65 -54.2 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.755 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -51.28 -24.69 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.04 -27.3 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.217 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 67.9 mmm -83.48 -35.61 24.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.561 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -63.12 -32.36 73.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.773 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -67.5 -50.6 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.769 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -65.07 -44.26 89.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.764 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m -53.52 -35.29 60.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.72 -29.34 64.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.22 125.39 13.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.048 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.453 HG22 HD11 ' A' ' 96' ' ' ILE . 37.5 mm -100.03 -71.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.22 79.33 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 t -82.69 -43.11 17.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -32.91 66.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.078 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.79 33.72 4.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -102.77 101.63 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -147.79 -61.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.393 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.17 82.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -85.73 89.2 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.2 158.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.018 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.11 124.79 15.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.345 -1.253 . . . . 0.0 112.533 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.747 ' H10' ' CG2' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.79 125.34 0.91 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.611 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 3' ' ' PHE . 32.9 p90 -118.96 117.53 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.748 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -121.37 127.98 51.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.993 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -118.52 107.87 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.792 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 m -139.65 128.19 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.176 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -65.75 -48.95 70.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.735 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.49 125.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.023 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.618 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 94.6 t 66.9 158.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.423 ' N ' ' CG1' ' A' ' 9' ' ' VAL . . . -88.86 -47.56 4.16 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.352 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 4.2 t90 -68.59 123.16 20.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.905 0.384 . . . . 0.0 110.215 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.7 OUTLIER -104.38 126.51 31.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.989 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.484 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 37.0 Cg_exo -60.72 77.37 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.236 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER 174.69 -60.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.29 -48.57 17.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.55 -138.31 14.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.381 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.548 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 10.8 m-85 -69.86 173.18 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.49 64.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.145 0.498 . . . . 0.0 110.711 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.83 -29.65 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.099 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -57.35 -33.25 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -136.31 38.84 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.39 141.99 48.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.926 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.39 153.93 91.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.816 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.06 -38.15 7.51 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.549 2.166 . . . . 0.0 112.232 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.77 83.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.66 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' HG ' ' CD1' ' A' ' 59' ' ' LEU . 2.9 tm? -75.06 -45.31 42.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -52.28 -33.96 44.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -26.26 56.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.485 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.481 HD23 ' CZ ' ' A' ' 52' ' ' PHE . 2.2 tt -61.22 -25.83 67.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.796 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -91.47 -47.25 7.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -52.41 -25.75 10.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -84.57 -40.66 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.46 -23.19 61.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.69 50.56 1.95 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.649 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 36' ' ' SER . 36.8 mt -126.8 147.08 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 111.092 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -124.63 -175.81 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 -179.768 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.45 -40.63 87.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.24 -40.94 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.504 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -81.78 -23.18 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' A' ' 17' ' ' PHE . 12.2 mt -86.46 -22.38 26.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.259 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 64.8 p -81.28 -40.49 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -59.87 129.2 40.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.061 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.01 66.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -38.87 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -84.98 -41.33 15.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.0 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.0 m -50.57 -59.24 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.786 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -56.54 -40.94 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.015 0.435 . . . . 0.0 109.999 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.96 -33.37 70.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.281 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.23 -24.01 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.14 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.761 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -63.36 -23.85 67.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.403 -178.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.9 -18.15 42.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CZ ' HD23 ' A' ' 29' ' ' LEU . 20.0 t80 -85.77 -60.99 1.86 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.526 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.414 HG21 ' CD1' ' A' ' 59' ' ' LEU . 8.9 mt -66.45 -17.63 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.672 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.718 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 0.1 OUTLIER -80.3 -32.82 37.99 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.788 0.328 . . . . 0.0 111.108 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.26 -38.89 63.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -59.73 -24.42 64.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.443 ' O ' ' H16' ' A' ' 108' ' ' WSK . . . 110.86 -25.58 14.27 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.39 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.589 ' HA2' ' H8 ' ' A' ' 108' ' ' WSK . . . 159.69 -176.98 36.38 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.293 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.505 ' CD2' 'BR2 ' ' A' ' 108' ' ' WSK . 1.4 mp -80.14 -54.51 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.201 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.17 -31.41 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 173.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' HB1' ' CA ' ' A' ' 58' ' ' GLY . . . -61.63 -31.59 71.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.178 176.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 42.6 t -82.49 -43.66 19.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.091 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -51.22 -35.01 34.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.667 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -62.47 -43.47 98.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.837 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -84.44 -40.25 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -31.26 18.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.29 -43.87 11.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -57.58 -49.38 76.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 70' ' ' GLY . 2.3 tt0 -100.81 145.57 28.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.978 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 69' ' ' GLN . . . 96.05 129.42 5.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.401 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.29 73.64 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.0 m -169.55 35.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 146.11 65.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.16 -42.83 1.8 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.22 60.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -26.32 14.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.446 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.57 112.62 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.72 -28.3 69.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.06 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.45 -46.96 80.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.096 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.53 -114.92 2.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.446 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.436 ' CD1' HD12 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -64.18 -25.27 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 110.848 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.03 -45.8 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.29 -26.33 36.16 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.246 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.56 -33.67 60.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.813 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 2.8 tp -62.99 -46.9 85.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.3 mtt -50.0 -24.8 2.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -77.5 -33.84 54.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.451 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.428 HG11 ' CD1' ' A' ' 85' ' ' LEU . 1.3 p -65.78 -27.34 41.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.879 0.371 . . . . 0.0 111.048 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 25.2 mmt -76.09 -39.51 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -57.37 -36.01 70.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -60.13 -43.42 95.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.681 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.35 -48.84 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.78 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -39.27 68.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -36.77 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.4 123.07 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.218 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.1 mp -91.96 -74.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 164.08 12.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.1 t -84.43 -40.64 17.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.6 m -62.56 -19.07 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.285 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.89 29.6 3.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.941 0.4 . . . . 0.0 110.744 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -45.67 151.33 0.43 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.438 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 160.93 -143.49 8.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.341 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.79 65.77 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.726 0.298 . . . . 0.0 110.927 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -138.04 -80.01 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.1 103.41 3.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.18 108.64 7.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.038 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.557 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.761 ' H5 ' ' CA ' ' A' ' 50' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.838 0.351 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.13 70.74 0.46 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -111.57 150.15 30.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -80.33 85.77 5.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 5' ' ' HIS . 16.5 p-80 -72.59 101.86 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.995 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 34.2 m -141.39 102.37 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.201 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.2 t -51.53 -50.72 59.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 9' ' ' VAL . 1.8 t60 79.07 -67.11 0.17 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.984 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.746 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 8.0 p 123.49 146.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 125.11 1.507 . . . . 0.0 110.603 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.13 -30.88 7.56 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.451 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 22.2 t90 -75.43 112.95 12.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.917 0.389 . . . . 0.0 110.256 177.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -102.3 125.73 35.45 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.91 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.05 88.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.345 2.03 . . . . 0.0 112.135 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.91 -62.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.62 -48.43 6.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.069 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.69 -119.45 3.94 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.549 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 16.0 m-85 -81.18 154.38 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 110.995 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.6 66.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.5 m -59.77 -25.03 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.27 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.413 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 8.7 p30 -57.88 -48.65 79.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.714 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' ND2' ' OD1' ' A' ' 20' ' ' ASN . 18.5 p30 -116.15 30.99 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.36 137.74 58.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.036 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.77 142.24 88.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.92 -59.71 0.95 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.576 2.184 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -49.57 -61.05 2.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.68 -36.58 57.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.772 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -30.86 70.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 110.492 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.95 -27.51 24.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.148 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' CD1' ' CG2' ' A' ' 82' ' ' VAL . 6.8 tp -58.58 -25.19 62.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.774 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' CD1' ' HB ' ' A' ' 35' ' ' ILE . 16.6 m-85 -82.76 -59.69 2.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.791 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -48.94 -29.23 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.045 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -81.8 -28.34 33.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.31 -23.44 21.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.88 40.26 1.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.897 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' HB ' ' CD1' ' A' ' 30' ' ' PHE . 23.2 mt -128.14 148.97 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 111.192 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.12 174.37 10.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.82 -27.16 11.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.53 82.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.276 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -80.41 -29.77 37.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.6 mt -69.96 -32.5 70.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.127 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 p -67.46 -43.13 81.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.986 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.66 129.53 42.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -41.47 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.32 -34.59 78.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.4 m -78.19 -44.46 25.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 p -53.3 -34.69 58.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -62.53 -57.6 10.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 pp -58.23 -30.04 66.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 110.772 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 74.0 mt -80.04 -30.14 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.67 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -63.4 -23.34 67.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.587 -178.668 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -60.47 -17.79 47.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 47.7 t80 -87.59 -57.36 2.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.61 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 53' ' ' ILE . 2.0 mt -71.43 -18.51 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.834 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.661 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 2.8 tm-20 -83.97 -22.16 31.52 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.718 0.294 . . . . 0.0 111.474 178.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -88.89 -46.55 8.83 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.465 ' OE1' ' CE1' ' A' ' 52' ' ' PHE . 5.8 mp0 -55.79 -19.69 12.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.405 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.26 -31.84 4.74 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.021 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.7 ' HA2' ' H8 ' ' A' ' 108' ' ' WSK . . . 163.25 151.7 6.53 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.684 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.489 ' CD2' 'BR2 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -61.68 -55.14 33.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.863 0.363 . . . . 0.0 110.742 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 0.3 OUTLIER -72.96 -31.23 64.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.447 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' HB1' ' HA3' ' A' ' 58' ' ' GLY . . . -63.19 -26.46 68.82 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.013 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.436 HG13 ' CD1' ' A' ' 81' ' ' LEU . 23.6 t -79.07 -41.15 22.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.37 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -51.58 -33.73 33.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.321 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -67.73 -33.2 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.541 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -35.87 42.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.722 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -30.64 63.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -33.7 73.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -160.42 69.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.993 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 78' ' ' SER . 1.2 pt20 -56.49 -25.63 51.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 176.42 -158.59 25.02 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.533 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.99 -106.57 0.99 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.5 t -145.71 173.93 11.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.852 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.89 -26.34 6.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.486 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -143.03 -47.3 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.67 134.88 49.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -120.04 44.87 2.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.004 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.6 p -114.72 156.09 25.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.406 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -99.6 -31.81 11.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -50.7 -60.57 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.29 -113.79 1.64 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.608 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.436 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.6 pt? -52.92 -28.25 22.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.739 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.433 ' CG2' ' CD1' ' A' ' 29' ' ' LEU . 61.1 t -55.35 -47.85 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.007 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.98 -42.07 98.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.302 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.65 -30.1 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.484 ' HG ' ' CD2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -77.08 -36.68 55.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.803 179.633 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.3 mtt -55.61 -44.59 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -64.29 -35.47 80.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.622 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.31 -37.27 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.891 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.4 mmt -71.22 -37.24 72.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.699 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -66.88 -29.24 69.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.643 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -44.03 84.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.748 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -83.87 -30.72 26.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.768 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -50.66 44.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.94 -63.18 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.011 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 55.74 107.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.006 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.475 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.3 mp -111.74 55.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.044 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -151.05 112.37 4.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.4 p -80.91 -37.13 30.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.3 t -83.42 -26.65 30.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 t0 69.75 -70.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -154.18 -55.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -54.76 167.25 2.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.529 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -120.28 -44.15 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -55.37 119.44 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -108.06 51.15 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.14 101.68 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.509 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.746 ' H10' ' CG2' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.869 0.366 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.18 -163.95 36.43 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -129.3 118.37 22.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.63 120.18 37.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -73.3 133.41 43.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.4 HG13 ' HB2' ' A' ' 8' ' ' HIS . 1.4 t -120.55 124.41 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.1 t -75.77 -19.21 59.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.279 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.4 ' HB2' HG13 ' A' ' 6' ' ' VAL . 24.5 m170 -59.62 85.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.915 0.388 . . . . 0.0 110.939 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.582 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 9.6 p -176.39 157.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.005 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.62 -21.57 5.39 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.748 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.0 t90 -68.32 100.93 1.12 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.178 0.513 . . . . 0.0 110.446 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -84.12 125.41 72.56 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.724 179.403 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.34 77.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.605 2.204 . . . . 0.0 112.343 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER 172.75 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.864 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.93 -52.3 37.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.769 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.96 -87.41 1.14 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.608 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 11.1 m-85 -116.77 159.19 22.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.24 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.63 46.36 2.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.685 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 20' ' ' ASN . 15.0 p -48.05 -25.66 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.51 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.428 ' N ' HG13 ' A' ' 19' ' ' VAL . 5.7 p-10 -60.06 -29.49 68.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.172 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -149.51 33.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.015 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.21 140.47 52.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.09 137.92 80.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.38 -44.5 43.05 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.434 2.09 . . . . 0.0 112.181 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.435 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 3.0 m-20 -56.72 -57.86 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.773 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -34.09 74.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -56.58 -46.36 80.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.0 p -70.19 -40.8 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.6 -24.03 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CZ ' HD13 ' A' ' 53' ' ' ILE . 27.5 m-85 -94.02 -51.61 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 t -53.36 -24.93 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -77.29 -24.27 51.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.986 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.44 -23.11 20.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.139 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.28 63.44 0.94 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.569 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.4 mt -125.59 138.21 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 p -104.49 172.68 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -60.83 -31.71 71.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.6 -46.17 73.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -70.29 -37.26 74.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.019 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -68.9 -42.71 76.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.5 p -74.11 -41.97 60.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.117 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.67 125.52 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.29 -26.9 61.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.02 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.91 -41.34 59.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -86.02 -24.76 26.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.007 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.5 p -50.01 -59.14 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.864 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -65.16 -37.82 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.695 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 tp -57.73 -31.34 66.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.434 HG12 ' CE ' ' A' ' 89' ' ' MET . 24.3 mt -88.33 -22.19 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.402 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.752 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -61.68 -20.26 63.25 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.793 -178.541 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.32 -17.9 23.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.641 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 88.0 t80 -86.98 -61.77 1.65 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.517 HD11 HG21 ' A' ' 53' ' ' ILE . 2.8 mt -61.74 -18.23 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.599 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.734 ' HG2' ' H12' ' A' ' 108' ' ' WSK . 2.8 tm-20 -83.65 -28.96 28.03 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.722 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -50.07 35.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.61 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -55.46 -20.32 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.318 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.75 -26.31 8.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.208 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.439 ' HA2' ' H8 ' ' A' ' 108' ' ' WSK . . . 163.05 142.3 3.36 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.654 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.487 ' CD2' 'BR1 ' ' A' ' 108' ' ' WSK . 0.1 OUTLIER -53.51 -55.3 26.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.731 0.301 . . . . 0.0 111.254 -179.607 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.463 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 7.0 pt-20 -73.38 -35.79 65.96 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . . . -58.23 -20.71 44.01 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.616 176.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 55.4 t -83.43 -47.17 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.435 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 61.2 mtp180 -46.04 -39.38 9.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.274 -179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -52.47 -38.15 58.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -56.02 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.891 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -34.27 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.29 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -39.04 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -115.79 -40.32 3.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.072 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 70.61 -63.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 169.49 -118.49 0.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -143.82 21.61 2.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.569 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.9 122.08 33.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.57 -127.89 1.0 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.26 -114.91 5.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.3 t -127.48 28.36 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -123.12 27.65 7.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.046 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.56 112.67 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.698 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.73 -41.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.419 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.67 -157.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.187 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.45 ' O ' ' HG ' ' A' ' 81' ' ' LEU . . . 62.08 99.37 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.001 -1.095 . . . . 0.0 110.506 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER 69.84 -58.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 111.263 -176.783 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.2 t -55.58 -43.85 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.362 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.44 -38.76 81.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.357 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.17 -38.8 71.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.487 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 1.6 tt -71.45 -43.23 67.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.905 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.6 mtt -50.7 -29.35 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.749 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -78.47 -24.12 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.823 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.76 -32.67 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.434 ' CE ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -81.35 -31.43 33.39 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.594 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -65.82 -24.65 66.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.654 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -63.33 -57.76 9.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -61.11 -29.84 70.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -65.97 -27.44 68.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -94.26 -27.64 16.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.94 93.94 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.6 mp -109.68 -41.94 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.041 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -97.38 110.47 23.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.2 t -66.83 -22.5 66.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -33.68 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.133 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -104.65 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.052 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.41 102.15 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.39 98.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.537 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -22.02 12.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 111.082 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -126.96 38.0 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -131.33 31.17 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.03 123.21 29.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.47 -1.184 . . . . 0.0 112.483 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.752 ' H1 ' ' CA ' ' A' ' 50' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.836 0.35 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.49 61.11 0.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.423 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.75 112.54 19.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.94 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.5 117.12 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.6 123.0 16.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.5 m -152.39 148.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.192 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -29.97 12.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.607 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 61.69 34.19 17.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.682 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.689 ' CG1' ' H10' ' A' ' 108' ' ' WSK . 47.5 t -139.6 146.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.016 0.436 . . . . 0.0 110.894 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.54 -29.36 8.32 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.861 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.539 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 14.5 t90 -86.19 125.33 33.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.959 0.409 . . . . 0.0 110.566 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -107.92 130.73 22.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.919 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 39.4 Cg_exo -61.04 72.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.669 2.246 . . . . 0.0 112.464 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER 172.04 -64.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.94 -44.8 96.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.3 -123.58 6.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.552 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.537 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 9.2 m-85 -94.71 170.74 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.71 64.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.62 -33.86 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.082 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 19.3 p30 -54.84 -30.3 57.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 1.2 m-20 -138.51 37.16 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.705 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mt -69.0 142.47 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.06 138.91 79.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.44 -43.23 59.3 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.505 2.137 . . . . 0.0 112.525 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.39 -60.86 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.117 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -49.38 -38.22 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.08 -30.45 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.745 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -84.56 -33.76 23.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.471 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 tt -55.89 -24.15 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.75 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -91.31 -62.68 1.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.3 t -49.61 -26.2 3.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' CB ' HG21 ' A' ' 82' ' ' VAL . 47.8 mtt-85 -82.52 -27.96 31.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.35 -19.16 34.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.289 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.42 39.12 2.87 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 HD12 HG23 ' A' ' 35' ' ' ILE . 43.2 mt -126.53 123.39 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.416 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 43.5 m -104.16 176.53 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -54.06 -26.43 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.78 -53.65 45.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.352 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' OE1' ' N ' ' A' ' 36' ' ' SER . 21.4 mp0 -73.84 -29.74 62.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.417 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 HD22 ' CE1' ' A' ' 17' ' ' PHE . 14.4 mt -76.85 -27.31 55.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.2 p -80.89 -25.42 37.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.4 104.21 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.98 -28.0 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.242 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -80.02 -56.56 4.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.099 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.1 m -63.54 -21.04 66.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.451 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -71.47 -43.07 67.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.0 111.378 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -52.07 -57.13 10.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.492 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.13 -24.47 40.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.183 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 85.8 mt -85.95 -26.95 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.456 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.682 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -66.39 -22.64 66.25 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.548 -179.418 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -59.81 -17.94 39.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 32.1 t80 -88.39 -61.21 1.76 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.635 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.87 -18.31 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.891 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.643 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 2.4 tt0 -83.7 -37.76 22.33 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.876 0.369 . . . . 0.0 111.168 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.92 -38.99 26.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.924 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -55.55 -20.28 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 111.402 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.77 -24.93 6.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.899 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 143.0 147.65 4.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.513 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.485 ' CD2' 'BR1 ' ' A' ' 108' ' ' WSK . 0.5 OUTLIER -58.82 -55.27 37.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.8 0.333 . . . . 0.0 111.271 -179.281 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -75.25 -34.23 61.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.49 -28.05 65.02 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.983 176.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 24.9 t -77.37 -41.27 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.524 177.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.2 ttt-85 -51.93 -37.39 52.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.245 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -67.62 -27.93 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.292 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.77 -52.83 5.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.723 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -26.52 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -51.74 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -68.26 -59.79 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.01 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 62.31 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -83.35 -63.33 1.72 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.09 -56.16 0.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.545 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 p -135.3 27.7 3.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.48 -96.8 0.34 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.558 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.24 85.3 1.03 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.5 p -151.93 77.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.96 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.18 133.46 55.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.94 126.35 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.48 139.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.015 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -28.27 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.7 -96.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.857 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.412 ' CD2' HG11 ' A' ' 62' ' ' VAL . 8.8 tp -47.01 -51.2 17.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.703 0.287 . . . . 0.0 111.304 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.42 HG21 ' CB ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -76.5 -34.48 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.577 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.32 -23.8 66.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.697 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.63 -33.87 58.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.008 0.433 . . . . 0.0 110.546 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.48 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 1.4 tp -63.55 -36.99 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.523 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.0 mtt -53.44 -22.75 8.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -80.19 -45.82 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.399 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.434 ' CG1' ' CD1' ' A' ' 85' ' ' LEU . 1.2 p -52.28 -27.47 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.906 0.384 . . . . 0.0 111.049 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.6 mmt -75.09 -28.14 60.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -57.86 -34.25 69.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -42.93 88.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -54.66 11.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.031 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -49.67 -56.11 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.062 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -85.89 -65.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 58.46 109.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.033 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.476 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 2.6 mp -122.05 -70.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.168 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 31.8 p80 45.1 49.09 9.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.357 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 m -81.41 -50.39 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 t -61.6 -29.81 70.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.45 81.18 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.84 177.46 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.34 -100.64 0.3 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.628 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.93 -46.66 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 110.834 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.4 t0 66.45 176.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.65 -67.35 0.86 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.89 103.02 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.512 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.689 ' H10' ' CG1' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.869 0.366 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.01 -98.0 0.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -131.42 125.14 31.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.5 162.27 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.785 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -131.83 93.86 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.398 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.437 HG22 ' CG ' ' A' ' 8' ' ' HIS . 6.0 m -76.28 -160.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.424 -178.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -68.42 -6.04 22.5 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.437 ' CG ' HG22 ' A' ' 6' ' ' VAL . 1.5 p-80 -72.82 -2.45 20.61 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.772 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 7.6 p -135.59 152.19 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.965 0.412 . . . . 0.0 110.896 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.75 -33.63 6.04 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.767 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -82.04 146.09 29.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.979 0.418 . . . . 0.0 110.415 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.33 144.34 47.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.5 59.03 2.54 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.826 2.35 . . . . 0.0 112.697 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.31 -73.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -68.52 -50.83 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.28 -130.84 9.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.63 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 2.7 m-85 -83.59 149.45 26.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -102.97 38.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.501 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 7.8 p -45.13 -29.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.569 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -54.63 -43.47 72.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.186 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -118.18 27.58 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.265 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.501 ' CD1' ' HA ' ' A' ' 19' ' ' VAL . 1.1 tp -52.77 133.34 37.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.001 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.93 142.27 56.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.28 -56.78 2.23 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.548 2.165 . . . . 0.0 112.154 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' OD1' ' NE ' ' A' ' 63' ' ' ARG . 2.2 m-20 -60.9 -40.79 94.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.482 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -64.29 -44.87 90.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -26.74 14.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.557 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.42 -28.76 23.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.342 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' CD1' HG22 ' A' ' 82' ' ' VAL . 11.0 tp -58.2 -24.8 60.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.795 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 30.7 m-85 -84.13 -56.84 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.748 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -24.99 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.769 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' CB ' HG11 ' A' ' 82' ' ' VAL . 83.0 mtt180 -86.96 -24.36 24.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.51 -23.16 19.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.76 29.29 5.03 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.929 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.422 ' CG2' ' HB2' ' A' ' 39' ' ' GLN . 24.4 mt -116.04 138.67 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.965 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.91 174.59 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -50.71 -38.33 46.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.799 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.76 -54.77 20.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.79 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.422 ' HB2' ' CG2' ' A' ' 35' ' ' ILE . 9.8 mp0 -64.02 -26.43 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.635 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 21.7 mt -76.67 -46.7 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.136 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.5 p -68.44 -24.13 64.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.352 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.77 110.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.073 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.06 -35.66 73.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.19 -54.15 14.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -64.34 -30.18 71.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.704 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 p -51.13 -58.46 6.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.682 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -59.38 -31.7 69.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.291 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.83 -31.72 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.507 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -88.13 -20.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.183 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.642 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -65.64 -22.07 66.62 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.713 -178.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.3 -19.91 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 74.0 t80 -89.61 -61.37 1.71 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.692 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -19.47 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.956 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.682 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 1.9 tt0 -84.84 -22.02 29.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.694 0.283 . . . . 0.0 111.293 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 -46.39 8.51 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 7.7 mp0 -55.27 -19.97 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.622 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.8 -30.85 4.74 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.026 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 158.22 150.39 5.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.848 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD2' 'BR1 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -60.16 -55.3 35.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.875 0.369 . . . . 0.0 110.96 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 6.9 pt-20 -73.52 -33.1 64.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 176.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.408 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -59.82 -28.32 67.37 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.868 176.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 42.2 t -80.34 -40.01 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.496 176.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' NE ' ' OD1' ' A' ' 25' ' ' ASP . 52.7 ttt-85 -51.89 -30.65 24.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.22 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.11 -38.92 84.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.75 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.89 -35.13 22.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -34.24 74.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.886 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -31.62 72.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -86.46 -67.1 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 53.08 66.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.61 140.53 7.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.6 -131.33 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -131.64 38.78 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.04 34.26 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.564 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.28 -143.4 14.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.548 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 69.87 49.21 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -63.37 115.55 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.47 134.27 14.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.1 -58.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -99.55 34.52 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.33 -102.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.376 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -61.01 -30.77 70.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.772 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.422 HG22 ' CD1' ' A' ' 29' ' ' LEU . 48.6 t -62.67 -45.41 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.42 -39.74 74.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.301 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.54 -39.09 61.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 110.803 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 9.8 tp -70.16 -33.78 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.58 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.4 mtt -59.49 -40.35 86.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.758 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -64.33 -51.02 65.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.701 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.9 t -55.53 -25.61 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.7 mmt -79.17 -28.86 42.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -72.74 -33.36 66.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.65 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -30.61 64.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.83 -50.22 8.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.728 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.1 t -56.93 -39.45 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ILE . 8.7 mmt180 -95.02 -57.52 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.023 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 61.63 -82.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.191 0.52 . . . . 0.0 111.085 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 94' ' ' ARG . 9.8 mm 56.84 68.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.159 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 67.91 142.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.7 t -75.22 -36.78 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 101' ' ' GLU . 4.6 t -62.68 -35.28 79.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.2 t0 67.17 -69.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 176.91 124.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.34 28.35 17.48 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.557 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -137.76 117.97 13.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.755 0.312 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -171.87 91.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 62.03 118.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.22 136.48 42.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.01 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.442 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.772 ' H10' ' CG2' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.15 48.99 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -64.04 101.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.006 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -68.19 160.23 29.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -107.12 95.05 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 m -160.21 95.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.808 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.44 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -79.17 -29.12 42.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 7' ' ' SER . 6.2 m-70 73.12 -63.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.293 0.568 . . . . 0.0 110.739 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.572 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 58.0 t -90.51 158.56 2.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.478 178.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.81 -33.73 3.46 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -65.54 101.29 0.58 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.172 0.51 . . . . 0.0 109.948 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 14' ' ' GLN . 38.2 p-10 -80.33 120.52 79.71 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.911 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.22 78.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.436 2.091 . . . . 0.0 112.165 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER 176.32 -66.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -77.56 -50.74 11.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.0 -102.56 1.09 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 30.4 m-85 -97.88 178.19 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.71 78.19 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.788 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 m -61.67 -26.21 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -56.72 -36.81 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.1 29.95 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.73 147.46 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.21 134.94 42.37 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.15 -52.67 7.33 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.531 2.154 . . . . 0.0 112.366 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.43 -50.2 32.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.436 ' CB ' HD21 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.34 -34.95 61.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.7 mtp85 -54.6 -30.12 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.39 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -86.08 -22.17 27.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.936 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -69.99 -26.64 64.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -78.7 -58.74 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.69 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -51.9 -25.74 8.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.641 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -80.71 -44.0 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.06 -23.43 59.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.16 44.49 1.37 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.949 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.433 HG21 ' CB ' ' A' ' 39' ' ' GLN . 20.2 mt -128.15 150.78 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -132.65 -177.12 4.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.102 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -46.6 82.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.12 -28.88 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.433 ' CB ' HG21 ' A' ' 35' ' ' ILE . 5.0 mp0 -84.83 -32.06 23.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 HD22 ' CE2' ' A' ' 17' ' ' PHE . 24.4 mt -79.93 -41.85 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.079 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.8 p -59.65 -32.83 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.54 120.99 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.0 -25.38 60.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.9 -40.74 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.972 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.443 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.8 m -76.36 -33.7 58.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -54.85 -45.7 74.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.61 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -55.22 -21.46 14.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.597 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 45' ' ' THR . 2.8 mm? -84.67 -35.06 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.413 0.625 . . . . 0.0 110.153 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.5 mt -84.15 -21.39 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.111 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.64 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -74.61 -21.23 59.57 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.599 -179.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.17 -17.76 54.65 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.416 ' CG ' ' HG ' ' A' ' 85' ' ' LEU . 57.5 t80 -89.11 -61.31 1.73 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.525 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -65.7 -18.81 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.925 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.725 ' HG2' ' H12' ' A' ' 108' ' ' WSK . 6.2 tm-20 -84.08 -38.56 20.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.722 0.296 . . . . 0.0 111.228 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -86.05 -35.81 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.735 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -55.71 -20.1 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.475 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.01 -27.89 4.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.673 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 143.74 154.09 6.04 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.388 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.498 ' CD1' 'BR2 ' ' A' ' 108' ' ' WSK . 0.4 OUTLIER -65.59 -55.61 16.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.75 0.309 . . . . 0.0 111.677 -179.595 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -76.54 -30.33 57.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HB1' ' HA3' ' A' ' 58' ' ' GLY . . . -64.34 -27.16 68.83 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.237 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 2.3 t -73.7 -40.82 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -52.43 -28.88 21.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.062 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.57 -30.0 67.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.605 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -84.95 -55.84 3.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mtt -47.61 -35.01 8.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -71.24 -36.39 71.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -104.81 23.82 12.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -58.55 131.68 51.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.935 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.53 151.88 45.47 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.559 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.13 66.88 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.69 27.96 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.31 22.51 5.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.81 -79.27 0.38 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -135.02 28.59 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.771 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 63.18 157.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 p -51.29 123.21 9.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.3 m -147.57 171.9 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.02 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HG2' ' CE ' ' A' ' 86' ' ' MET . 4.6 mt-10 -62.08 -24.36 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.934 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.64 -95.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.22 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.69 -28.72 14.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.0 110.699 179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.2 t -56.16 -27.71 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.19 -34.78 61.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.343 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.98 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 ' HG ' ' CG ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -71.15 -48.06 54.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.42 ' CE ' ' HG2' ' A' ' 79' ' ' GLU . 9.7 mtt -55.63 -28.1 53.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -79.89 -29.9 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.706 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.51 -37.93 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 74.2 mmm -70.87 -36.37 72.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -55.43 -26.45 42.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.794 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -60.6 -64.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -43.61 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 p -48.26 -53.47 17.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -86.22 -58.71 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 50.03 77.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.061 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.5 mm -76.69 -40.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -86.92 62.44 7.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.1 t -80.78 -30.67 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.3 p -52.29 -38.16 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -77.45 -28.17 52.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -100.46 73.69 1.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.52 146.09 5.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.42 145.09 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -108.67 93.04 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -137.61 -49.53 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -98.25 115.97 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.987 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.483 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.725 ' H12' ' HG2' ' A' ' 54' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.56 28.82 23.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.43 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -89.9 151.58 21.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 108.98 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -100.52 114.15 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.8 m -132.26 120.67 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.014 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -58.46 -54.38 47.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.01 112.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.778 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.697 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 5.4 p -135.21 -117.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.487 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.34 -29.9 0.28 Allowed Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 119.239 0.927 . . . . 0.0 111.235 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.511 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -86.8 151.39 23.4 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.916 0.388 . . . . 0.0 110.104 178.3 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.24 131.01 24.57 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.616 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.63 -22.24 16.6 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.366 2.044 . . . . 0.0 112.318 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.09 -81.53 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -51.0 -49.03 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.7 -102.69 2.89 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 62.7 m-85 -96.56 151.42 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.07 76.89 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.67 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -61.15 -26.11 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.382 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -63.83 -30.0 71.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.729 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -140.12 44.48 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.854 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.28 146.34 54.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -69.71 119.21 69.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.767 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.77 -23.63 11.81 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.385 2.057 . . . . 0.0 112.55 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -61.23 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -63.76 -26.53 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.172 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -33.86 60.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.388 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.68 -31.06 46.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.534 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 tt -59.77 -24.12 63.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.753 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.42 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 23.0 m-85 -85.3 -59.27 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.81 -24.07 21.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -88.85 -36.29 16.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -79.85 -23.15 42.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.07 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.89 40.89 1.78 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.63 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 36' ' ' SER . 28.6 mt -125.1 142.81 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -124.6 -177.2 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.049 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -54.01 -42.58 69.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.035 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.86 -44.69 59.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.137 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.417 ' CB ' HG22 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -72.94 -23.09 60.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.0 mt -88.36 -27.43 21.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.084 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.2 p -83.55 -44.22 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.42 131.81 33.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.43 -52.89 9.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.049 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -31.69 56.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 m -88.27 -45.51 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.223 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.4 p -46.73 -43.14 17.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 111.51 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -59.1 -57.3 13.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.514 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.77 -27.92 53.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 110.769 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.3 mt -80.26 -20.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.738 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -71.95 -30.22 65.08 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.438 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -54.73 -21.2 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.142 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 68.9 t80 -82.67 -61.33 1.91 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.326 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.459 HD11 HG23 ' A' ' 53' ' ' ILE . 2.5 mt -64.35 -18.26 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.696 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.734 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 1.1 tt0 -83.85 -36.52 23.38 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 111.185 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -86.27 -36.18 19.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.654 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -55.6 -19.92 11.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.37 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.72 -20.22 7.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.221 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.444 ' HA2' ' H8 ' ' A' ' 108' ' ' WSK . . . 136.67 148.35 5.48 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.118 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.484 ' CD2' 'BR1 ' ' A' ' 108' ' ' WSK . 0.4 OUTLIER -65.34 -55.51 17.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.816 0.341 . . . . 0.0 110.745 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 12.8 pt-20 -66.96 -33.28 75.24 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.86 -27.72 69.36 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.93 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 58' ' ' GLY . 23.0 t -83.45 -40.4 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.568 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -52.15 -33.17 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.454 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.35 -30.12 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.622 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -84.82 -51.02 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.952 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -38.54 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -54.5 -36.03 63.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.025 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -148.77 63.91 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -83.0 -33.46 26.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.989 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.75 -68.62 0.32 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.391 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.74 131.71 21.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.485 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.72 114.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 139.77 -83.48 0.23 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.388 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.57 29.27 12.6 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.44 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.75 60.63 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.105 0.479 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -49.48 158.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.977 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.45 97.21 10.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -117.44 -61.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 57.35 39.12 28.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.42 37.6 3.74 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.9 tp 175.41 -34.83 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 0.0 110.446 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 36.9 t -80.43 -38.29 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.732 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.63 74.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.236 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.45 -34.75 69.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 110.754 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 2.6 tp -78.04 -30.31 49.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.578 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.4 mtt -61.99 -39.45 92.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.498 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -67.99 -43.0 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.709 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.8 -24.01 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.038 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.4 mmt -81.36 -24.51 37.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.705 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -73.81 -32.87 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.683 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -50.08 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -50.39 71.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.793 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 p -56.16 -49.6 73.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -24.47 67.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.78 111.76 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.8 mp -119.16 -65.65 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -90.4 166.02 13.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.0 m -83.92 -32.96 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.4 p -60.83 -21.11 62.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.196 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.43 -68.69 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.873 0.368 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -136.1 -57.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.03 -64.36 0.33 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.579 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 50.61 63.82 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 110.834 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -95.11 28.09 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.003 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.31 -178.62 6.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.22 153.67 45.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.333 -1.259 . . . . 0.0 112.497 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.738 ' H1 ' ' CA ' ' A' ' 50' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.912 0.387 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.66 -60.01 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.536 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -52.72 159.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -143.52 89.13 2.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -64.73 127.24 30.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -150.59 -179.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.054 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.471 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 30.2 t -73.26 -46.42 50.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.011 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.477 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 12.5 p-80 44.64 30.04 0.48 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.319 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.704 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 7.5 p 51.06 156.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 124.338 1.024 . . . . 0.0 112.426 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' N ' ' CG2' ' A' ' 9' ' ' VAL . . . -101.2 -38.3 3.35 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.949 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 1.6 t90 -70.95 129.73 39.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.053 0.454 . . . . 0.0 110.515 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -106.33 130.53 22.82 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.504 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.81 149.81 39.76 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.337 2.025 . . . . 0.0 112.261 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 69.72 7.81 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.933 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -123.9 -60.25 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.23 -131.89 10.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.412 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 46.2 m-85 -98.01 145.39 26.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.884 0.373 . . . . 0.0 111.062 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.23 58.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.21 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.502 ' HA ' ' CD2' ' A' ' 22' ' ' LEU . 28.8 m -39.89 -31.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.119 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.431 ' N ' HG21 ' A' ' 19' ' ' VAL . 41.8 t30 -54.52 -39.51 67.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.97 0.414 . . . . 0.0 110.41 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -122.85 26.02 8.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.39 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.502 ' CD2' ' HA ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -53.11 153.15 3.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 -179.513 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.6 118.35 71.47 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -45.18 -29.16 3.99 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.588 2.192 . . . . 0.0 112.671 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' HB2' ' CD ' ' A' ' 63' ' ' ARG . 1.9 t0 -71.82 -61.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.976 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -28.47 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.074 179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -33.69 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.432 . . . . 0.0 110.231 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.4 m -86.15 -30.35 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.29 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.51 -29.79 59.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.465 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -84.13 -48.35 9.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.743 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -57.43 -24.72 57.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.761 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -87.14 -25.17 24.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.68 14.41 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.6 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.85 38.69 89.48 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.878 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 35' ' ' ILE . 19.6 mt -125.95 147.96 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.976 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.81 179.2 5.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.7 -40.81 60.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.82 -53.42 25.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.444 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -62.23 -30.58 71.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.88 -41.35 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.2 p -66.77 -33.98 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.06 115.22 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -29.85 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -80.44 -50.09 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.7 m -67.46 -37.73 83.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -46.37 -59.36 3.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -38.56 82.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.239 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -61.1 -28.7 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.491 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.4 mt -88.49 -25.63 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.732 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.666 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -64.81 -21.19 66.73 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.632 -178.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -61.58 -17.37 54.76 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 27.7 t80 -88.63 -60.39 1.97 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.744 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.414 HD12 HG21 ' A' ' 53' ' ' ILE . 3.0 mt -67.58 -17.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.869 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.694 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 2.3 tm-20 -83.16 -33.03 26.33 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.49 -28.18 20.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.323 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -63.59 -12.8 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.642 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.35 -21.94 23.36 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.996 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' VAL . . . 142.66 148.68 5.01 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.322 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.491 ' CD2' 'BR2 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -65.82 -54.61 24.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.757 0.313 . . . . 0.0 110.837 -179.381 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 1.5 pt-20 -65.16 -31.48 72.68 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 175.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' HB1' ' HA3' ' A' ' 58' ' ' GLY . . . -66.49 -27.41 67.76 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.986 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' GLY . 42.5 t -76.06 -37.22 33.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.401 177.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.429 ' CD ' ' HB2' ' A' ' 25' ' ' ASP . 20.4 mtm180 -53.0 -34.15 55.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.798 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.96 -24.12 66.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.533 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 66' ' ' MET . 7.5 tm-20 -84.76 -54.84 4.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.672 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.404 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 40.7 mtp -49.67 -31.59 11.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -59.85 -32.65 70.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.61 83.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.971 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -63.94 -25.41 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.92 -92.67 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.575 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.38 95.82 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.9 p -119.02 56.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.76 -101.29 0.29 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.75 -55.35 31.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.615 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m 67.32 64.8 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -163.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 p -51.24 152.74 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 60.8 -83.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.85 -115.53 3.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.425 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -79.16 -27.51 42.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.963 0.411 . . . . 0.0 110.769 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.7 t -50.24 -50.07 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.981 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.96 -28.9 54.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.295 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.48 -30.04 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.903 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.481 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 1.1 tp -68.88 -44.9 72.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 14.0 mtt -51.09 -24.1 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -75.73 -39.73 56.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 85' ' ' LEU . 0.8 OUTLIER -63.18 -27.96 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 110.864 -179.429 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 46.9 mmm -80.35 -35.56 35.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.621 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -57.31 -27.09 61.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.423 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -67.24 -49.41 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.683 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -82.19 -23.49 35.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t -48.12 -34.59 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.21 -66.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 48.85 28.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.164 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.6 mm -83.85 -39.86 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -118.86 99.91 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.018 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.0 m -85.24 -28.48 25.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.84 -25.83 32.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -116.93 67.35 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.51 82.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.07 36.92 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.407 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -150.98 173.32 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -133.26 118.19 18.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -84.2 -67.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.58 153.63 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.502 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.704 ' H10' ' CG2' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.895 0.379 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.89 -86.33 0.15 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.348 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -120.87 87.03 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.02 168.86 18.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -116.72 107.34 14.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 m -142.04 154.88 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -56.57 -21.82 29.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -46.58 106.06 0.08 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.0 0.429 . . . . 0.0 111.425 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.549 ' CG1' ' H10' ' A' ' 108' ' ' WSK . 24.5 t 57.21 159.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.456 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.36 -31.77 2.73 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -65.78 104.76 1.12 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.18 0.514 . . . . 0.0 110.173 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.7 116.47 66.5 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -51.54 153.62 10.31 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.306 2.004 . . . . 0.0 112.329 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.17 0.96 3.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.771 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -128.62 -62.44 1.02 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.855 0.359 . . . . 0.0 110.738 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.39 -137.52 14.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.474 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 55.4 m-85 -77.55 176.21 9.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.47 55.61 0.86 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.501 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 22.0 m -47.56 -30.11 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.43 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -27.67 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.502 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -137.74 10.57 2.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.422 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.501 ' CD1' ' HA ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -68.97 153.43 43.82 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.05 0.452 . . . . 0.0 111.418 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.45 144.93 87.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -72.46 -37.45 4.25 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.657 2.238 . . . . 0.0 112.22 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.91 -47.16 86.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -71.69 -30.91 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.1 -37.66 74.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -32.34 65.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 tt -53.88 -25.05 18.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.793 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -87.93 -54.69 4.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -51.38 -25.57 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' NH1' ' HE1' ' A' ' 66' ' ' MET . 72.8 mtt180 -86.38 -38.79 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.58 -23.18 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.29 -20.0 10.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.674 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.0 mt -67.7 138.22 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 111.185 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.1 p -123.44 178.05 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.13 -35.84 27.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.21 75.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -22.58 51.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' A' ' 17' ' ' PHE . 19.8 mt -88.08 -31.8 19.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.111 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 p -72.66 -35.31 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -71.98 113.11 8.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.68 96.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.995 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.63 -37.25 67.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.9 m -81.25 -37.69 28.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.003 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -54.95 -39.13 68.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.02 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -51.83 67.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.344 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -22.82 66.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.692 0.282 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -88.15 -31.19 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.591 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.687 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -64.71 -20.96 66.63 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.08 -178.113 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.16 -17.68 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 85.1 t80 -85.93 -61.13 1.82 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.477 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -18.45 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.772 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.646 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -83.61 -31.56 26.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 178.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -43.21 18.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.91 -178.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -55.5 -20.21 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.688 0.28 . . . . 0.0 111.318 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.82 -28.78 5.58 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.869 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.441 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 152.97 152.62 6.05 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.586 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.47 ' CD2' 'BR1 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -64.06 -55.11 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 0.0 110.947 -179.145 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.46 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 7.4 pt-20 -72.56 -29.09 63.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.85 -27.32 67.44 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.006 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 11.0 t -71.12 -39.42 73.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.307 177.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -51.24 -31.5 21.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.812 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -72.0 -31.59 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.399 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.99 -47.7 9.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.994 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.421 ' HE1' ' NH1' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -49.51 -33.69 15.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -39.51 86.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 1.3 mtm-85 -83.87 -44.02 14.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 68' ' ' ARG . 12.7 pt20 46.78 -170.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.33 -149.74 19.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.477 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.52 42.92 0.93 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.595 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -104.56 88.11 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -113.18 -51.13 0.52 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.26 -80.7 0.26 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.474 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.0 m -146.86 41.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.37 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -128.98 152.94 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 t -148.36 157.32 43.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.018 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.98 -173.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 51.53 24.24 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.77 -76.9 1.22 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.392 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.45 -35.67 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.627 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.6 t -76.17 -43.22 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.27 -26.48 63.95 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.266 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.87 -33.11 74.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.975 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.404 ' HG ' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -74.35 -26.29 60.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.737 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.97 -39.09 90.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -68.62 -40.47 80.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.5 t -68.25 -20.82 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -28.5 55.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 0.0 110.525 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -58.69 -26.44 63.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.621 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -52.67 -40.73 63.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -75.63 -44.7 41.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 m -52.01 -53.67 39.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -59.75 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 58.07 111.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.7 mp -110.74 -65.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -93.84 90.37 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -32.31 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.0 t -68.69 -24.0 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.01 37.4 2.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -76.96 65.17 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.81 172.09 37.9 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.89 -81.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -100.43 -173.14 2.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -111.01 59.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.005 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.88 116.06 6.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.32 -1.266 . . . . 0.0 112.475 -179.898 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.687 ' H1 ' ' CA ' ' A' ' 50' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.728 0.299 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.71 59.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.413 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -75.44 115.02 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -118.57 171.84 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -114.04 107.47 15.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 34.2 m -129.03 106.74 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.3 m -50.96 -41.5 59.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.473 ' CD2' HG21 ' A' ' 9' ' ' VAL . 55.8 p-80 179.47 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.229 0.538 . . . . 0.0 111.259 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.701 ' CG1' ' H10' ' A' ' 108' ' ' WSK . 45.5 t -72.81 148.48 9.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.064 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.7 -32.52 8.01 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.745 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -79.15 136.05 37.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.98 0.419 . . . . 0.0 110.385 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -121.64 135.18 24.94 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.911 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -63.3 71.22 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.378 2.052 . . . . 0.0 112.06 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -174.05 -76.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.953 -179.599 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.8 -49.06 67.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.4 -118.35 4.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.572 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 4.6 m-85 -88.19 158.21 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.953 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.4 39.8 2.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.423 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 11.7 p -45.55 -29.75 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.405 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -54.84 -48.13 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.011 0.434 . . . . 0.0 110.072 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -112.85 27.54 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.228 178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 19' ' ' VAL . 1.5 tp -52.83 136.82 33.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.077 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.58 142.14 85.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.7 -48.56 21.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.481 2.12 . . . . 0.0 112.206 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.427 ' CB ' ' HG3' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -58.09 -57.69 11.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.023 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -27.77 69.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -64.68 -31.99 73.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.4 p -80.98 -31.94 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.401 HD12 ' HB ' ' A' ' 82' ' ' VAL . 5.4 tp -58.03 -23.1 52.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.781 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -84.76 -63.85 1.26 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.6 p -50.11 -25.7 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' CB ' HG23 ' A' ' 82' ' ' VAL . 61.3 mtt180 -84.59 -26.64 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.78 -22.54 20.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.6 -22.65 9.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.76 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.436 HG23 HD13 ' A' ' 35' ' ' ILE . 29.3 mt -66.2 152.15 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.162 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.428 ' N ' HG22 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -132.6 -179.68 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.834 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.91 -34.92 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.31 69.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.425 ' CB ' HG21 ' A' ' 35' ' ' ILE . 5.8 mp0 -76.54 -35.35 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.996 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.449 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 21.5 mt -71.99 -45.45 60.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.3 p -59.92 -32.15 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.13 99.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.813 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.69 -27.84 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.293 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -77.96 -60.37 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -53.46 -25.7 17.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.94 -39.06 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -27.0 61.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.143 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 48' ' ' LEU . 2.8 mp -70.25 -40.24 74.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.511 0.672 . . . . 0.0 109.384 177.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.5 mt -88.78 -21.08 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.1 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.662 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -64.29 -24.8 67.79 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.104 -0.639 . . . . 0.0 110.468 -178.465 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.51 -19.71 39.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 87.7 t80 -89.39 -57.66 2.8 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.793 -179.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.462 HD13 HG23 ' A' ' 53' ' ' ILE . 2.8 mt -71.02 -18.87 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.707 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 1.6 tm-20 -83.79 -36.13 23.79 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.832 0.348 . . . . 0.0 110.828 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -89.43 -34.77 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.203 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -55.98 -19.67 13.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.315 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.92 -23.96 7.22 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.058 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.437 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 141.21 149.44 5.24 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.283 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.484 ' CD2' 'BR2 ' ' A' ' 108' ' ' WSK . 0.4 OUTLIER -62.54 -55.47 27.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.418 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.435 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 4.7 pt-20 -74.17 -32.47 63.1 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.4 ' HB2' ' HA3' ' A' ' 58' ' ' GLY . . . -61.75 -26.35 68.02 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.997 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 5.2 t -73.6 -40.46 54.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' HG3' ' CB ' ' A' ' 25' ' ' ASP . 7.4 mtp180 -53.25 -30.63 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.975 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -70.34 -36.67 74.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.736 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.2 -45.41 12.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.6 mmm -51.19 -29.78 15.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.805 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -46.81 75.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -36.11 82.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.48 -173.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.991 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.62 138.52 14.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.445 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -158.5 -77.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.562 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.6 t -53.35 119.51 4.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.02 -88.0 0.49 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.571 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.41 119.03 0.84 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.433 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.0 p -100.06 71.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.62 107.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.89 146.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 p -66.87 -47.99 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 90.29 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -103.17 -79.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.962 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 tp -53.59 -41.85 67.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 110.096 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.401 ' HB ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -80.17 -39.21 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.075 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.433 ' HA2' ' CE ' ' A' ' 86' ' ' MET . . . -55.63 -25.69 43.85 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.323 -0.941 . . . . 0.0 111.298 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.66 -32.87 60.34 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.017 0.437 . . . . 0.0 110.443 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 1.8 tp -64.36 -34.85 79.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.18 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.433 ' CE ' ' HA2' ' A' ' 83' ' ' GLY . 48.8 mtt -52.04 -39.79 60.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.483 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -59.52 -61.44 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.724 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.18 -25.39 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.166 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 mmt -80.19 -33.83 37.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.815 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -62.92 -28.96 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -47.65 84.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -72.66 -54.96 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 p -50.26 -31.51 14.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -84.54 -10.25 57.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.77 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.9 -9.41 46.33 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.47 ' N ' ' CD1' ' A' ' 96' ' ' ILE . 2.5 mp 43.66 63.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 111.373 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 54.07 104.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.0 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 83.5 p -66.22 -29.57 69.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.985 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -44.97 78.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.4 t70 57.24 31.03 19.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.42 -57.36 8.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.42 -65.13 3.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.416 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -158.62 149.56 20.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -78.64 116.41 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.85 88.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.8 104.82 12.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.589 -179.835 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.707 ' H4 ' ' CA ' ' A' ' 54' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.833 0.349 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.54 -96.62 0.41 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -72.98 116.82 13.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.91 147.53 40.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -56.89 143.84 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 m -131.03 147.94 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.8 m -83.23 -6.4 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.883 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.411 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 5.6 t60 -87.45 8.8 23.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.521 0.2 . . . . 0.0 111.517 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.748 ' CG2' ' H10' ' A' ' 108' ' ' WSK . 7.1 p 178.87 159.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.128 0.49 . . . . 0.0 111.548 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' N ' ' CG2' ' A' ' 9' ' ' VAL . . . -104.21 -43.36 1.76 Allowed Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CE2' ' O ' ' A' ' 13' ' ' PRO . 48.8 t90 -71.16 115.93 10.88 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 173.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -157.34 78.97 3.59 Favored Pre-proline 0 N--CA 1.466 0.362 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -174.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' O ' ' CE2' ' A' ' 11' ' ' TRP . 70.9 Cg_endo -107.05 -88.86 0.0 OUTLIER 'Cis proline' 0 N--CA 1.44 -1.674 0 C-N-CA 125.698 -0.542 . . . . 0.0 110.835 -7.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.86 -7.09 31.37 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.63 -31.04 1.03 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.342 0.591 . . . . 0.0 109.928 178.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.22 162.63 14.41 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.822 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 50.5 m-85 -52.59 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.925 -0.637 . . . . 0.0 111.188 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.74 47.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.276 178.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.2 m -40.81 -38.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.834 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -54.79 -32.57 60.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.66 29.23 5.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.84 126.45 27.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.992 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -67.17 143.45 97.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.9 -49.19 17.5 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.5 2.133 . . . . 0.0 112.288 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' CB ' ' CG ' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -51.05 -61.35 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.952 -179.757 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -57.26 -43.57 83.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.617 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -27.75 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -86.17 -26.58 25.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.568 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.428 HD13 ' CG2' ' A' ' 82' ' ' VAL . 8.5 tp -65.35 -22.95 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.755 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.438 ' CZ ' HD23 ' A' ' 40' ' ' LEU . 8.3 m-85 -86.16 -59.65 2.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.839 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.61 -31.46 16.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -75.05 -24.49 58.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.43 -23.28 16.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.235 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.85 46.21 1.52 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.763 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.471 HD11 HG21 ' A' ' 35' ' ' ILE . 17.0 mt -125.67 155.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.941 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.433 ' N ' HG23 ' A' ' 35' ' ' ILE . 18.0 p -135.53 -178.66 5.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.275 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.82 -46.17 78.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.051 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.54 -42.79 34.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.44 ' CB ' HG22 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -67.61 -32.29 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.542 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 17.0 mt -82.53 -24.88 33.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.054 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.9 p -79.39 -36.32 39.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.962 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.57 137.85 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -41.34 22.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.358 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -38.83 75.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.062 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.8 m -73.24 -45.78 53.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.071 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 m -48.52 -26.61 2.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.225 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -56.45 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.078 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.6 pp -59.44 -32.08 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.3 mt -74.75 -37.04 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.596 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -63.54 -20.61 65.77 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.228 -177.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -59.59 -19.81 51.44 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.627 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CG ' ' OE1' ' A' ' 56' ' ' GLN . 12.3 t80 -89.87 -61.2 1.74 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.073 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.442 HG21 HD11 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -67.71 -19.48 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.053 -178.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.694 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 1.1 tm-20 -84.47 -28.8 26.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 111.041 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -90.06 -45.86 8.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.837 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 3.3 mp0 -55.19 -20.87 11.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 0.0 111.315 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.13 -32.62 2.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.208 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.432 ' O ' ' CG2' ' A' ' 62' ' ' VAL . . . 150.77 160.5 9.41 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.833 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.441 ' CD2' 'BR2 ' ' A' ' 108' ' ' WSK . 0.8 OUTLIER -63.94 -55.19 24.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.965 0.412 . . . . 0.0 110.643 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -82.08 -34.29 29.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . . . -57.91 -26.88 62.76 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.014 176.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 1.7 t -72.07 -41.07 67.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CG ' ' CB ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -52.92 -34.99 57.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.097 178.467 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -65.65 -33.3 75.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.365 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -39.45 18.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.744 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -34.36 40.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -69.75 -37.9 76.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.749 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -117.8 47.57 1.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -49.57 -34.67 18.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.16 87.88 1.89 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.53 109.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.48 40.17 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.787 0.327 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.58 46.68 0.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.53 121.15 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.493 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 p -171.89 101.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.3 . . . . 0.0 111.015 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.35 52.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -174.8 157.71 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -62.07 -85.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.031 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.32 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.225 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.72 -81.78 0.33 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.696 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.83 -16.84 29.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.598 0.237 . . . . 0.0 111.301 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' A' ' 29' ' ' LEU . 45.2 t -56.95 -37.2 53.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.808 0.337 . . . . 0.0 110.994 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.11 -33.31 78.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.668 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.73 -35.26 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.183 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.7 -44.63 66.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.6 mtt -45.39 -56.29 5.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.23 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -51.31 -61.49 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.39 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.0 t -47.32 -26.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.818 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.8 mmm -82.43 -23.72 34.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.719 0.295 . . . . 0.0 111.044 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -67.65 -24.79 65.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.838 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -31.77 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.498 ' NH2' ' CE1' ' A' ' 97' ' ' HIS . 15.3 tpt180 -74.8 -42.02 58.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -24.25 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -26.67 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.979 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.78 153.97 9.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.237 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' A' ' 96' ' ' ILE . 3.1 mp -113.21 -51.34 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.498 ' CE1' ' NH2' ' A' ' 92' ' ' ARG . 7.2 m170 55.31 69.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -80.09 -25.64 39.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.4 p -60.36 -49.83 76.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.86 25.26 11.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.71 85.68 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.85 -154.36 3.24 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.455 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.79 -43.05 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 111.007 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 55.27 43.32 29.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -81.79 146.24 30.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.4 133.46 21.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.027 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.463 -1.187 . . . . 0.0 112.53 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' WSK . . . . . 0.748 ' H10' ' CG2' ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.483 HG22 ' H ' ' A' ' 11' ' ' TRP . 6.2 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.088 0.47 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -96.92 -31.64 6.88 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.571 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.483 ' H ' HG22 ' A' ' 9' ' ' VAL . 3.7 t90 -87.85 151.45 22.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 0.0 110.613 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -149.98 147.94 23.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.0 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.93 68.39 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.648 2.232 . . . . 0.0 112.295 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -159.69 -70.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.983 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -77.73 -70.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.76 -115.08 2.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -102.95 129.69 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -95.52 67.54 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 20' ' ' ASN . 25.9 m -55.82 -41.09 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.402 ' N ' HG23 ' A' ' 19' ' ' VAL . 18.7 p30 -54.95 -30.35 58.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -129.2 27.64 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -63.61 130.7 45.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' OD1' ' HD2' ' A' ' 63' ' ' ARG . 0.9 OUTLIER -53.74 134.96 55.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.48 -58.71 1.58 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.475 2.117 . . . . 0.0 112.379 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.59 -57.82 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.541 ' HG ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -53.27 -36.31 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -48.91 68.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.2 m -69.92 -31.08 68.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HG22 ' A' ' 82' ' ' VAL . 6.3 tp -58.4 -21.82 51.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' HD1' HD12 ' A' ' 35' ' ' ILE . 17.3 m-85 -93.48 -53.69 3.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.745 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -26.93 9.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.701 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.7 mtt-85 -78.14 -39.02 42.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.037 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' N ' ' CG1' ' A' ' 82' ' ' VAL . . . -75.82 -23.46 55.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.187 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.43 47.06 1.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.715 HD12 HD21 ' A' ' 85' ' ' LEU . 57.1 mt -125.74 138.89 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.733 0.301 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.6 p -116.63 -179.6 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.169 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.679 ' O ' HG23 ' A' ' 41' ' ' THR . 1.2 mt-10 -59.76 -23.6 63.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.39 93.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.164 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.9 -24.25 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mt -90.37 -21.52 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.326 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 37' ' ' GLU . 77.1 p -94.49 33.64 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.131 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.13 117.66 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.12 -23.38 54.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -78.95 -42.4 26.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.066 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.569 HG22 HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -85.54 -31.41 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.9 p -50.1 -36.14 28.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -40.91 16.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.759 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.633 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.8 tm? -57.69 -32.5 67.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.717 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.569 HD11 HG22 ' A' ' 45' ' ' THR . 10.2 mt -88.04 -24.72 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.29 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -55.83 -21.74 21.29 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.374 -179.244 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -59.15 -18.6 37.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.67 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -87.14 -61.42 1.73 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.165 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.602 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -63.51 -18.61 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.31 178.733 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 3.2 tm-20 -83.88 -48.59 9.87 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.99 0.424 . . . . 0.0 110.98 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.26 -34.92 63.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.526 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -55.7 -21.07 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.174 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.05 -22.11 9.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.265 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.933 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 142.05 141.39 3.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.62 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.908 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -56.52 -55.62 31.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 -179.36 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.908 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.2 pt-20 -70.41 -32.12 69.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.499 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -64.13 -21.96 66.75 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.839 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 58' ' ' GLY . 77.0 t -83.4 -37.92 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.451 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.406 ' HD2' ' OD1' ' A' ' 23' ' ' ASP . 9.3 mtp85 -46.98 -44.82 20.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.17 -24.83 66.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.712 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -84.24 -48.57 9.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.646 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.4 tp . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 120.634 0.254 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.701 HG11 ' HB3' ' A' ' 32' ' ' ARG . 19.5 t -75.59 -33.45 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.184 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.14 -21.9 57.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.585 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.35 -42.46 22.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.833 ' O ' HD12 ' A' ' 85' ' ' LEU . 3.9 tp -61.88 -24.95 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.782 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 mtt -71.23 -29.62 65.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.081 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -78.94 -27.01 43.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.2 t -72.57 -27.66 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 51.5 mmm -83.01 -24.6 32.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.65 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -60.55 -32.74 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.64 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -59.07 -42.42 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.75 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -78.89 -28.53 44.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.027 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 -179.818 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.54 HG22 ' H ' ' A' ' 11' ' ' TRP . 3.7 p . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.186 0.517 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.23 -40.73 28.25 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.178 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.54 ' H ' HG22 ' A' ' 9' ' ' VAL . 3.5 t90 -76.0 135.66 39.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.833 0.349 . . . . 0.0 110.454 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.36 135.79 27.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 35.3 Cg_exo -57.55 85.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.458 2.105 . . . . 0.0 112.272 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 172.92 -77.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -68.39 -46.71 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 -179.793 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.25 -101.01 2.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -102.62 153.02 20.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.796 0.331 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -114.31 64.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.709 ' HA ' HD12 ' A' ' 22' ' ' LEU . 34.2 m -53.07 -29.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -72.34 -29.94 64.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.49 34.21 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.012 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -76.15 136.79 39.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.59 148.85 95.35 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.992 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.13 -60.02 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.446 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 3.4 m-20 -54.38 -51.79 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.594 HD12 HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -55.89 -43.0 76.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -44.28 75.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -25.69 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.766 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.901 HD12 HG22 ' A' ' 82' ' ' VAL . 8.0 tp -65.13 -22.03 66.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.438 ' HZ ' HD11 ' A' ' 53' ' ' ILE . 13.2 m-85 -90.61 -53.5 4.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -21.31 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.747 ' HB3' HG11 ' A' ' 82' ' ' VAL . 3.9 mtt180 -81.07 -24.67 37.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.59 -23.16 17.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.37 30.31 4.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.721 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' A' ' 85' ' ' LEU . 22.8 mt -107.63 132.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.019 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.4 169.45 8.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.179 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.64 ' HG3' HG11 ' A' ' 19' ' ' VAL . 5.9 tt0 -52.14 -46.3 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.018 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.85 -38.64 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -76.98 -24.48 52.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -80.57 -32.34 36.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.959 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 37' ' ' GLU . 19.1 p -69.7 -46.74 65.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.29 116.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.065 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.11 -52.42 65.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.002 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -53.71 -48.52 69.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.669 HG22 ' CD1' ' A' ' 49' ' ' ILE . 32.5 m -67.21 -37.08 83.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -52.76 -52.8 55.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.679 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -66.15 -34.6 78.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.563 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.76 -37.94 88.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.835 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.669 ' CD1' HG22 ' A' ' 45' ' ' THR . 18.1 mt -87.34 -20.53 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.509 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -20.54 58.03 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.724 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.09 -17.79 42.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.83 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CG ' ' HG ' ' A' ' 85' ' ' LEU . 60.4 t80 -86.31 -62.0 1.61 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.557 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.55 HG21 ' CD1' ' A' ' 59' ' ' LEU . 14.1 mt -64.25 -17.74 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.607 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.95 -24.37 33.03 Favored 'General case' 0 CA--C 1.527 0.061 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.121 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -83.56 -47.15 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.723 ' HB3' HG22 ' A' ' 62' ' ' VAL . 6.1 mp0 -55.74 -23.74 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.14 -24.97 11.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.56 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.895 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 158.31 -169.69 34.91 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.601 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.55 ' CD1' HG21 ' A' ' 53' ' ' ILE . 1.2 mp -84.7 -54.75 4.5 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.915 0.358 . . . . 0.0 110.308 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.46 -30.89 70.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.538 ' HB3' ' N ' ' A' ' 58' ' ' GLY . . . -61.09 -39.36 89.63 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.495 176.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 58' ' ' GLY . 92.9 t -83.73 -53.89 10.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.887 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.446 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 16.0 mtm180 -47.17 -26.69 1.2 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.39 -28.55 46.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.283 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.22 -58.44 2.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.645 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.41 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.567 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD21 HG13 ' A' ' 62' ' ' VAL . 26.9 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.909 0.385 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.901 HG22 HD12 ' A' ' 29' ' ' LEU . 58.5 t -72.36 -29.68 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.946 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.83 -31.52 72.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.304 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.35 -51.75 54.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 110.836 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 85' ' ' LEU . 1.8 tt -53.0 -34.13 54.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.724 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.2 mtt -53.12 -43.69 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -62.58 -40.99 98.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.638 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.55 -22.9 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.127 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.89 -26.71 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.549 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -61.57 -26.41 67.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.709 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -62.99 -50.74 69.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -56.42 -43.1 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.3 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.973 0.416 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.48 -36.37 7.48 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.081 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.563 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 8.1 t90 -77.42 153.36 33.71 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.211 0.529 . . . . 0.0 110.591 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.435 ' CB ' ' HB2' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -133.3 144.78 53.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.381 178.629 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.4 -15.84 20.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.662 2.242 . . . . 0.0 112.848 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -116.64 -52.39 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 111.336 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 12' ' ' ASP . 9.6 m-80 -47.53 -46.57 27.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.15 -159.8 30.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.511 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -74.57 154.02 38.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.973 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.96 46.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.642 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.613 HG21 ' HG3' ' A' ' 37' ' ' GLU . 10.9 p -52.25 -24.78 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.28 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -54.99 -44.67 74.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.563 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -133.74 47.46 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.596 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -61.37 129.27 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.001 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.67 144.32 25.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.176 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.14 -54.87 4.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.515 2.143 . . . . 0.0 112.119 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -41.36 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.673 HD23 ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -72.82 -42.34 63.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.19 -26.11 37.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.693 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -86.43 -27.86 23.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.392 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.655 ' CD1' HG22 ' A' ' 82' ' ' VAL . 7.3 tp -65.43 -21.88 66.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.865 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -90.58 -59.58 2.14 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.98 0.419 . . . . 0.0 110.951 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -48.83 -33.71 11.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.597 ' HB3' HG11 ' A' ' 82' ' ' VAL . 5.4 mtt180 -72.87 -37.44 67.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.423 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -77.37 -23.07 50.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.211 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.92 47.49 2.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.581 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.693 HD11 HD11 ' A' ' 85' ' ' LEU . 27.6 mt -122.93 140.53 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.93 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -109.36 -176.16 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.613 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.1 mt-10 -65.91 -35.84 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.59 -50.09 33.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.319 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.4 -33.19 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.43 -43.7 66.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.958 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.7 p -70.98 -32.15 68.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.71 109.46 2.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.25 68.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.41 -36.29 82.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.84 -29.41 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.715 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' TYR . 4.5 p -51.1 -57.71 7.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -60.37 -28.88 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.207 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.624 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.9 tm? -73.82 -34.51 64.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.29 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.1 mt -88.09 -20.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.155 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.563 ' CE2' ' CZ3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -67.03 -22.72 65.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.649 -179.059 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.71 -17.88 50.85 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 77.7 t80 -88.53 -57.39 2.93 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.542 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.659 HG21 ' HB2' ' A' ' 59' ' ' LEU . 1.5 mt -70.18 -18.88 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.764 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.485 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 12.5 tm-20 -84.25 -36.16 22.89 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.82 0.343 . . . . 0.0 111.046 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -81.08 -41.37 22.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.628 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -55.54 -20.71 14.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 0.0 111.222 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.62 -28.35 5.74 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.121 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.876 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 153.17 149.18 5.09 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.894 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -59.71 -55.47 33.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.809 0.337 . . . . 0.0 110.988 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.894 ' N ' HD23 ' A' ' 59' ' ' LEU . 8.7 pt-20 -74.15 -33.8 63.63 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.585 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -58.67 -26.71 64.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.034 176.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 58' ' ' GLY . 36.5 t -79.49 -39.3 20.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.428 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -53.65 -31.4 47.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.123 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -77.1 -29.73 54.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.494 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -84.01 -46.15 12.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.5 pt? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.867 0.365 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.655 HG22 ' CD1' ' A' ' 29' ' ' LEU . 46.6 t -63.37 -42.29 95.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.664 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.86 79.18 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.028 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -55.56 -38.4 69.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.649 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 35' ' ' ILE . 5.1 tp -67.28 -38.44 85.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.389 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.9 mtt -57.39 -40.42 78.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -68.69 -36.71 78.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.982 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 84' ' ' ALA . 58.6 t -62.23 -30.42 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 68.2 mmm -79.19 -31.64 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -68.9 -32.45 72.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -34.32 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.1 tpt85 -77.28 -36.26 54.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.717 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.58 HG12 ' H ' ' A' ' 11' ' ' TRP . 89.1 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.883 0.373 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.93 -31.7 22.87 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.88 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.58 ' H ' HG12 ' A' ' 9' ' ' VAL . 2.3 t90 -86.79 148.08 25.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.68 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -146.16 152.83 47.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.81 63.0 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.656 2.237 . . . . 0.0 112.308 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.61 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -58.53 -50.21 74.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.96 -93.8 1.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CD2' HD12 ' A' ' 40' ' ' LEU . 3.4 m-85 -119.49 115.7 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.972 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.52 68.26 10.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 22' ' ' LEU . 30.6 m -55.96 -30.13 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.1 p30 -59.88 -42.04 92.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.032 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -120.99 36.18 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -66.24 125.84 26.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.775 179.67 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.59 138.53 60.94 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.886 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.24 -56.83 2.39 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.504 2.136 . . . . 0.0 112.296 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.53 -51.74 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -68.3 -26.94 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.693 179.571 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -55.72 -43.32 76.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.797 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 m -75.42 -26.94 58.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' CD1' ' HG ' ' A' ' 81' ' ' LEU . 4.4 tp -67.02 -17.58 64.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.192 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.787 ' HD1' HD12 ' A' ' 35' ' ' ILE . 9.8 m-85 -101.41 -60.23 1.56 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.885 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -50.06 -29.7 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -77.7 -31.51 52.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.192 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.96 -23.07 41.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.225 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.94 52.42 0.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.582 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.787 HD12 ' HD1' ' A' ' 30' ' ' PHE . 21.1 mt -128.23 137.48 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.775 ' O ' HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -125.29 166.08 17.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.682 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -45.29 -39.13 6.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.335 -179.602 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.65 -33.53 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.4 -56.75 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 35' ' ' ILE . 0.4 OUTLIER -59.32 -47.08 86.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.633 -179.189 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 37' ' ' GLU . 66.7 p -50.13 -27.06 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.991 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -80.89 122.48 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.1 94.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.89 -38.34 90.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.585 HG22 HD11 ' A' ' 49' ' ' ILE . 88.7 m -72.2 -29.75 64.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.4 m -62.4 -57.96 9.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.73 -48.98 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.634 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.4 tm? -54.22 -35.18 62.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 45' ' ' THR . 21.0 mt -88.36 -22.09 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.494 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -20.42 51.34 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.691 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -18.28 32.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.504 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' HE1' ' HB3' ' A' ' 84' ' ' ALA . 91.3 t80 -86.0 -61.58 1.72 Allowed 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.535 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 59' ' ' LEU . 1.1 mt -64.64 -17.95 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.632 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -83.45 -41.32 18.19 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.931 0.396 . . . . 0.0 110.77 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -77.86 -34.64 51.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.128 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -55.85 -20.6 16.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.21 -19.36 13.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.339 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.949 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 141.37 137.48 3.41 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.246 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.915 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -56.28 -55.48 32.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.736 0.303 . . . . 0.0 111.329 -179.243 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.915 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.53 -31.49 69.73 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.5 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.428 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -64.78 -25.49 67.94 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.441 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 58' ' ' GLY . 88.4 t -83.89 -36.22 11.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.178 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -46.43 -27.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 60' ' ' GLU . 2.9 mp0 -62.07 -42.69 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.93 -48.53 13.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 81' ' ' LEU . 15.8 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.73 0.3 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.441 HG22 HD12 ' A' ' 29' ' ' LEU . 61.4 t -85.96 -42.37 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -50.03 -42.01 38.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.461 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -52.95 -40.12 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 85' ' ' LEU . 2.5 tp -66.93 -41.73 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.3 mtt -52.72 -27.21 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.405 ' O ' ' HG3' ' A' ' 90' ' ' GLN . 29.3 m170 -78.5 -21.26 49.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.075 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.0 t -89.22 -20.5 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.408 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.413 ' CE ' HD11 ' A' ' 49' ' ' ILE . 1.8 mmt -81.27 -26.17 35.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -70.01 -31.03 68.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -29.18 62.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -81.18 -53.22 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 121.013 0.435 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.23 -40.08 7.1 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.993 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.43 ' CD1' ' HA2' ' A' ' 16' ' ' GLY . 6.4 t90 -69.77 146.86 51.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.119 0.485 . . . . 0.0 110.416 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -120.37 160.72 42.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.769 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.94 -0.15 9.11 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.843 2.362 . . . . 0.0 112.967 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -113.38 -84.38 0.59 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.706 0.289 . . . . 0.0 111.138 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -49.4 -64.52 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.976 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' HA2' ' CD1' ' A' ' 11' ' ' TRP . . . 112.14 -97.83 0.94 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.694 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.446 ' CD2' ' HA ' ' A' ' 40' ' ' LEU . 11.6 m-85 -93.83 132.51 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.272 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -91.81 51.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.142 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.796 HG21 ' HG3' ' A' ' 37' ' ' GLU . 7.2 p -44.82 -27.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.814 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.06 -54.62 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.56 42.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -68.42 127.25 32.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.14 136.46 80.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -51.58 -51.62 10.78 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.414 2.076 . . . . 0.0 112.17 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.08 -53.09 37.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.76 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -67.03 -39.87 87.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.68 179.544 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -57.55 -32.12 66.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -79.52 -27.32 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.393 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.811 HD23 ' O ' ' A' ' 29' ' ' LEU . 3.5 tt -64.12 -29.03 70.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.704 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.748 ' HD1' HD12 ' A' ' 35' ' ' ILE . 17.9 m-85 -82.95 -55.84 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.836 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.22 -25.88 4.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.96 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.891 ' HB3' HG11 ' A' ' 82' ' ' VAL . 2.4 mtt85 -84.84 -43.68 13.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.984 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.88 -22.64 65.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.282 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.0 40.36 2.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.563 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.748 HD12 ' HD1' ' A' ' 30' ' ' PHE . 24.9 mt -119.64 147.74 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.7 p -120.27 -177.14 3.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.191 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.796 ' HG3' HG21 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -58.53 -39.06 79.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.03 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.75 -49.69 47.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -36.86 83.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 36.6 mt -74.33 -45.44 47.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 p -63.45 -44.84 93.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.117 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.09 104.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.005 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.44 -32.25 57.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -59.26 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -61.31 -31.03 70.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 50' ' ' TYR . 67.7 m -51.11 -58.97 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.588 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -56.49 -36.22 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.201 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.4 tm? -66.62 -33.68 76.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.274 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.9 mt -87.82 -22.85 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.04 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -65.17 -21.54 66.79 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.699 -178.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 32.8 t70 -59.78 -17.79 38.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 175.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 62.4 t80 -89.32 -61.34 1.72 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.784 HG21 ' HB2' ' A' ' 59' ' ' LEU . 5.6 mt -64.08 -18.24 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.148 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 1.5 tm-20 -80.21 -50.33 10.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.879 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -60.37 -44.12 95.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.833 -178.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.48 -20.05 11.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.355 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.45 -26.55 9.0 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.967 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.923 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 156.08 147.93 4.89 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.654 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.919 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -60.14 -54.93 40.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.885 0.374 . . . . 0.0 110.704 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.919 ' N ' HD23 ' A' ' 59' ' ' LEU . 3.2 pt-20 -69.85 -32.71 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.522 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -62.24 -27.74 69.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.932 176.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 58' ' ' GLY . 54.3 t -77.23 -40.36 29.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.522 177.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -52.15 -30.04 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.159 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -68.25 -30.4 69.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.631 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.88 -53.36 5.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.012 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.859 0.362 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.891 HG11 ' HB3' ' A' ' 32' ' ' ARG . 58.8 t -74.44 -34.29 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.991 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.5 -30.62 71.02 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.342 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -58.74 -24.74 62.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 111.048 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.661 HD22 HD11 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -83.74 -44.66 14.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.811 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.8 mtt -52.1 -24.94 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -85.05 -31.66 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.053 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 84' ' ' ALA . 22.1 t -73.31 -25.59 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.258 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 76.9 mmm -82.03 -24.94 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -70.07 -38.43 75.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -52.8 -45.94 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.13 -47.53 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.212 -179.776 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.57 HG22 ' H ' ' A' ' 11' ' ' TRP . 7.9 p . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 121.071 0.462 . . . . 0.0 111.568 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.1 -28.7 9.05 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.732 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.57 ' H ' HG22 ' A' ' 9' ' ' VAL . 4.2 t90 -82.44 141.17 32.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.948 0.404 . . . . 0.0 110.912 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -143.8 137.89 14.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.747 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 52.3 Cg_exo -55.25 84.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.575 2.183 . . . . 0.0 112.373 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -176.32 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -103.59 -55.44 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.28 -98.7 1.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.33 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.575 ' HE2' HD11 ' A' ' 53' ' ' ILE . 21.1 m-85 -103.97 175.7 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.857 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -139.34 33.78 2.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.666 HG21 ' HG3' ' A' ' 37' ' ' GLU . 14.7 p -39.91 -30.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.958 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -66.92 -49.32 65.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.949 0.404 . . . . 0.0 110.734 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.61 32.71 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.358 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD11 ' HB3' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -103.92 139.19 39.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.511 -179.201 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.745 ' N ' HD12 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -51.42 167.81 0.29 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.527 -178.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -79.56 -38.25 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.797 2.331 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -51.26 55.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.697 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.848 ' HB3' HD11 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -69.53 -25.93 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.72 179.278 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -56.81 6.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.794 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 m -60.02 -32.45 70.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.958 HD12 HG22 ' A' ' 82' ' ' VAL . 10.9 tp -56.71 -22.89 38.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.895 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.584 ' HD1' HD12 ' A' ' 35' ' ' ILE . 31.4 m-85 -94.89 -55.61 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -24.95 3.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -83.36 -24.86 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.08 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.458 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -85.77 -23.22 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.196 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.22 33.72 2.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.603 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.729 HD12 HD21 ' A' ' 85' ' ' LEU . 61.6 mt -122.78 135.02 64.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -103.42 178.76 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.666 ' HG3' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -61.0 -39.19 88.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.18 -46.35 45.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -34.81 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 48.4 mt -72.33 -23.51 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.7 p -99.68 40.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.91 134.73 49.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.929 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.17 -36.07 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -79.38 -31.99 43.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -86.09 -24.86 26.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -59.32 -57.89 11.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.031 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -55.84 -27.3 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.6 tm? -74.59 -34.38 62.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.651 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.7 mt -88.39 -25.72 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.828 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -20.85 19.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.751 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.86 -17.83 39.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.717 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 60.9 t80 -85.65 -61.36 1.78 Allowed 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.453 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' A' ' 59' ' ' LEU . 1.6 mt -64.37 -17.5 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.584 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.35 -47.94 10.93 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.829 0.347 . . . . 0.0 111.02 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -38.33 80.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.344 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -55.92 -20.26 15.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.227 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.87 -26.89 8.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.298 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.924 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 154.36 141.69 3.3 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.59 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.927 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -56.43 -55.19 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.882 0.372 . . . . 0.0 111.069 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.927 ' N ' HD23 ' A' ' 59' ' ' LEU . 9.7 pt-20 -70.28 -33.7 71.89 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.495 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -62.39 -22.44 66.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.621 177.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 58' ' ' GLY . 62.8 t -83.43 -47.93 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.671 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -46.95 -27.19 1.19 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.86 -30.39 67.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -84.04 -50.89 7.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.419 ' CE ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.839 0.352 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.958 HG22 HD12 ' A' ' 29' ' ' LEU . 21.2 t -79.96 -30.37 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.004 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.43 -39.63 84.14 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.63 85.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.729 HD21 HD12 ' A' ' 35' ' ' ILE . 2.8 tp -56.85 -42.7 80.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.8 mtt -52.04 -32.01 32.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -75.87 -20.91 57.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 31.2 t -86.71 -20.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.617 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.58 -37.67 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.787 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -52.12 -35.64 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -67.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.071 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -44.73 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.317 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 10' ' ' GLY . 3.1 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.173 0.511 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -93.84 -42.11 4.21 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.237 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.425 ' N ' HG22 ' A' ' 9' ' ' VAL . 21.8 t90 -64.48 130.39 43.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.007 0.432 . . . . 0.0 110.419 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -115.59 128.19 26.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.018 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 24.5 Cg_exo -62.63 72.32 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.445 2.096 . . . . 0.0 112.123 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER 177.04 -61.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.59 -48.93 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.736 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.8 -124.8 6.65 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.59 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -92.02 141.06 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.036 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -91.88 51.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.473 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 22' ' ' LEU . 7.8 p -54.65 -29.72 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.459 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -57.27 -44.94 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.004 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.49 43.37 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -71.4 139.1 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD1' ' HD2' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -67.27 131.52 93.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.732 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD2' ' OD1' ' A' ' 23' ' ' ASP . 71.0 Cg_exo -50.65 -42.84 48.57 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.422 2.081 . . . . 0.0 112.386 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -58.59 6.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.769 ' O ' HD13 ' A' ' 26' ' ' LEU . 3.2 tm? -58.91 -36.67 75.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.731 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -54.69 -49.91 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.672 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -27.51 67.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.423 HD13 ' HE1' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -60.14 -24.81 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 179.619 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' HD1' HD12 ' A' ' 35' ' ' ILE . 13.4 m-85 -85.24 -63.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -50.27 -25.64 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.995 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.512 ' HB3' HG11 ' A' ' 82' ' ' VAL . 12.0 mtp180 -80.78 -31.44 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.2 -23.15 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.43 39.74 1.32 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.635 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.508 HD12 ' HD1' ' A' ' 30' ' ' PHE . 21.4 mt -127.59 155.01 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.44 ' N ' HG22 ' A' ' 35' ' ' ILE . 1.8 m -132.59 178.93 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.701 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.5 tt0 -55.76 -43.08 76.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.89 -33.29 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.97 -34.44 51.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.018 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.8 -33.68 60.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.979 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 37' ' ' GLU . 66.4 p -67.72 -25.89 65.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.65 114.92 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -47.42 85.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.74 -37.15 86.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.522 HG22 HD11 ' A' ' 49' ' ' ILE . 30.9 m -75.88 -24.97 55.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.043 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -67.67 -34.79 77.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -53.15 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.312 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 48' ' ' LEU . 1.9 pp -61.96 -26.18 68.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.339 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.522 HD11 HG22 ' A' ' 45' ' ' THR . 64.0 mt -88.05 -24.61 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.56 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -67.57 -23.86 65.45 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.448 -179.34 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 52' ' ' PHE . 52.5 p-10 -58.66 -19.17 36.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.782 0.325 . . . . 0.0 110.133 176.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 18.6 t80 -87.27 -61.11 1.8 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.377 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.437 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -64.9 -18.88 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.541 178.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 2.0 tt0 -84.21 -48.2 10.04 Favored 'General case' 0 CA--C 1.527 0.069 0 CA-C-O 120.865 0.364 . . . . 0.0 111.148 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -76.65 -37.94 55.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.858 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -55.65 -21.25 17.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.705 0.288 . . . . 0.0 111.209 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.42 -29.2 4.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.279 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.691 ' HA3' ' HB3' ' A' ' 61' ' ' ALA . . . 146.54 154.13 6.1 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.449 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -62.06 -55.04 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.929 0.395 . . . . 0.0 110.933 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.632 ' N ' HD23 ' A' ' 59' ' ' LEU . 16.5 pt-20 -81.1 -33.53 33.24 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.691 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -58.3 -28.9 65.42 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.76 176.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 58' ' ' GLY . 2.9 t -81.42 -37.38 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.375 177.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.71 38.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.263 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -74.42 -27.65 60.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.513 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.31 -38.13 19.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.158 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.973 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.561 0.22 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 32' ' ' ARG . 61.6 t -69.5 -30.17 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 111.041 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.35 -36.9 70.3 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.989 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -51.32 -26.89 8.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.612 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.435 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -85.0 -38.05 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.667 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.1 mtt -55.85 -34.57 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.81 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -75.04 -26.17 59.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.984 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 84' ' ' ALA . 40.8 t -81.04 -21.03 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.424 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.3 mmt -79.84 -23.68 41.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -27.82 67.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -61.71 -48.96 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.61 -39.63 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.892 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 10' ' ' GLY . 62.3 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.159 0.504 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.478 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -84.98 -46.79 5.53 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.831 178.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -70.32 130.52 42.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.018 0.437 . . . . 0.0 110.467 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 25.6 p-10 -116.85 140.04 26.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.762 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 23.0 Cg_exo -63.95 67.96 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.552 2.168 . . . . 0.0 112.336 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -150.97 -74.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -97.28 -41.33 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.18 -91.68 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 40' ' ' LEU . 48.9 m-85 -107.18 -178.81 3.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 111.038 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -137.59 67.48 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.611 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.563 HG11 ' HG3' ' A' ' 37' ' ' GLU . 30.9 m -46.43 -31.98 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.559 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -56.94 -26.85 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -144.07 32.57 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD12 HG12 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -61.57 136.46 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.034 -179.693 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.43 147.77 36.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.12 -38.45 4.94 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.692 2.261 . . . . 0.0 112.478 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -69.35 -38.65 78.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -75.52 -41.31 55.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -51.09 -29.96 14.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.944 0.402 . . . . 0.0 110.666 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -84.24 -35.13 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.606 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 29' ' ' LEU . 2.4 tt -53.23 -26.49 17.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.472 ' CE2' HD12 ' A' ' 26' ' ' LEU . 24.9 m-85 -84.41 -54.76 4.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.883 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -49.83 -25.04 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HB3' HG11 ' A' ' 82' ' ' VAL . 19.0 mtp180 -87.22 -30.27 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -86.45 -23.35 26.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.069 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.07 47.9 1.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.783 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.708 HD11 HD11 ' A' ' 85' ' ' LEU . 18.8 mt -127.75 149.17 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.714 0.293 . . . . 0.0 110.932 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -125.54 -168.4 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.239 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.771 ' O ' HG23 ' A' ' 41' ' ' THR . 0.6 OUTLIER -65.59 -44.72 85.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.159 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.65 -30.97 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.443 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -80.4 -40.69 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 18.9 mt -72.46 -42.3 65.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 37' ' ' GLU . 16.3 p -61.1 -34.18 74.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.092 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -65.96 125.77 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.047 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.49 64.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -73.53 -49.6 25.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 m -69.74 -28.76 66.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' TYR . 1.6 t -59.31 -59.13 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.437 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -31.89 54.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.081 0.467 . . . . 0.0 109.974 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.8 tm? -69.82 -34.11 73.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.165 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.9 mt -88.43 -20.49 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.114 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -67.99 -21.99 65.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.692 -178.659 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.33 -18.05 47.18 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 80.7 t80 -87.72 -60.83 1.86 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.491 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.586 HG21 ' CD1' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -66.04 -17.63 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.863 179.242 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.78 -25.41 37.94 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.07 -44.02 20.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -57.9 -24.21 56.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.06 -26.28 9.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.473 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.896 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 156.24 -170.63 33.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.79 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.586 ' CD1' HG21 ' A' ' 53' ' ' ILE . 2.8 mp -83.79 -54.43 4.91 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.908 0.385 . . . . 0.0 110.39 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -29.81 70.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 173.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HB3' ' N ' ' A' ' 58' ' ' GLY . . . -62.29 -31.89 72.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.833 176.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 58' ' ' GLY . 53.4 t -83.51 -44.76 18.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.329 178.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -50.66 -42.6 56.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -50.57 -42.48 55.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.786 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.02 -38.92 18.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.028 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.25 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.883 0.373 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 32' ' ' ARG . 61.7 t -58.46 -45.67 89.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.402 ' HA2' ' HE3' ' A' ' 86' ' ' MET . . . -54.19 -40.41 67.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.417 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.47 -40.37 71.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 85' ' ' LEU . 3.8 tp -67.01 -30.1 70.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.681 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.402 ' HE3' ' HA2' ' A' ' 83' ' ' GLY . 22.1 mtt -65.15 -45.22 85.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.823 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.49 -45.99 90.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.42 -21.37 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.9 mmt -83.14 -25.67 31.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 0.0 110.793 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.92 -31.92 64.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -64.33 -28.58 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -49.95 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.983 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.547 HG22 ' H ' ' A' ' 11' ' ' TRP . 7.3 p . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 121.088 0.471 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.94 -35.05 25.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.7 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.547 ' H ' HG22 ' A' ' 9' ' ' VAL . 5.1 t90 -84.13 142.57 30.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.779 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' GLN . 31.4 m-20 -144.81 151.79 50.48 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.829 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.55 68.91 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.559 2.172 . . . . 0.0 112.25 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.1 mt-30 -151.72 -83.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -84.42 -47.73 10.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.49 -91.53 1.06 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.439 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 13.5 m-85 -108.51 178.92 4.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -179.62 69.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.971 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.545 ' HA ' HD23 ' A' ' 22' ' ' LEU . 20.5 m -43.75 -29.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.456 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.5 -51.07 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.821 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -104.79 21.9 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 19' ' ' VAL . 1.3 tp -105.03 134.7 47.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.9 146.55 27.57 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.36 -35.02 14.64 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.58 2.187 . . . . 0.0 112.021 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.6 -48.99 57.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.626 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.659 ' HG ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -74.71 -29.71 61.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 178.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -58.13 -46.15 86.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.452 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.6 m -69.74 -26.66 64.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.514 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.913 HD12 HG22 ' A' ' 82' ' ' VAL . 6.5 tp -70.11 -22.9 62.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.699 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.848 ' CZ ' HD11 ' A' ' 53' ' ' ILE . 6.6 m-85 -89.66 -63.77 1.24 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.02 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.5 m -48.39 -34.88 11.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.114 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HB3' HG11 ' A' ' 82' ' ' VAL . 31.0 mtp85 -67.69 -28.4 67.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.51 -23.02 43.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.19 34.65 2.48 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.557 HD12 HD21 ' A' ' 85' ' ' LEU . 50.7 mt -116.7 142.16 31.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 111.076 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.37 178.77 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -60.89 -38.02 84.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.91 -49.71 68.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.32 -27.04 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.5 mt -82.32 -43.98 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.084 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.9 p -64.11 -25.25 68.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.51 118.83 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.02 93.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -40.47 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 49' ' ' ILE . 57.8 m -86.18 -30.63 22.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 12.2 p -49.85 -59.62 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.266 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' ' OG ' ' A' ' 46' ' ' SER . 14.0 ptmt -64.9 -30.48 71.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.3 tm? -65.58 -34.35 78.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.508 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.616 ' CD1' HG22 ' A' ' 45' ' ' THR . 59.0 mt -88.39 -20.84 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.415 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -20.69 52.48 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.819 -178.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -58.51 -17.87 24.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.606 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.428 ' HE1' ' HB3' ' A' ' 84' ' ' ALA . 67.9 t80 -86.4 -61.78 1.66 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.848 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 9.4 mt -64.31 -17.43 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -30.23 28.06 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -79.55 -41.24 27.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.375 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.463 ' HB3' HG22 ' A' ' 62' ' ' VAL . 3.9 mp0 -55.26 -21.82 15.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.003 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.92 -21.94 13.08 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.288 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.948 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 154.44 136.42 2.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.925 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -54.67 -54.99 34.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.784 0.326 . . . . 0.0 111.036 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.925 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -70.41 -31.38 68.56 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.497 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -65.99 -19.94 66.03 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.745 177.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 58' ' ' GLY . 78.9 t -82.93 -32.59 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.698 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -47.58 -28.53 2.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -82.34 -30.67 30.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -74.62 -49.01 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.742 0.305 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.913 HG22 HD12 ' A' ' 29' ' ' LEU . 11.0 t -78.32 -22.45 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.342 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.25 80.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.464 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -68.94 -48.92 62.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.98 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.604 HD21 ' HD1' ' A' ' 30' ' ' PHE . 6.8 tp -50.49 -47.41 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.5 mtt -51.65 -54.2 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.755 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -51.28 -24.69 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.04 -27.3 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.217 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.419 ' SD ' HD11 ' A' ' 35' ' ' ILE . 67.9 mmm -83.48 -35.61 24.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.561 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -63.12 -32.36 73.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.773 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -67.5 -50.6 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.769 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -65.07 -44.26 89.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.764 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.923 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 10' ' ' GLY . 94.6 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.035 0.445 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.52 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -88.86 -47.56 4.16 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.352 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 4.2 t90 -68.59 123.16 20.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.905 0.384 . . . . 0.0 110.215 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -104.38 126.51 31.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.989 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 37.0 Cg_exo -60.72 77.37 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.236 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER 174.69 -60.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.29 -48.57 17.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.55 -138.31 14.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.381 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -69.86 173.18 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.49 64.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.145 0.498 . . . . 0.0 110.711 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 22' ' ' LEU . 30.3 m -66.83 -29.65 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -57.35 -33.25 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -136.31 38.84 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD12 HG12 ' A' ' 19' ' ' VAL . 1.6 mt -72.39 141.99 48.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.926 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.39 153.93 91.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.816 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.06 -38.15 7.51 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.549 2.166 . . . . 0.0 112.232 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.77 83.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.66 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.635 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.9 tm? -75.06 -45.31 42.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -52.28 -33.96 44.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -26.26 56.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.485 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 81' ' ' LEU . 2.2 tt -61.22 -25.83 67.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.796 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.607 ' HD1' HD12 ' A' ' 35' ' ' ILE . 40.5 m-85 -91.47 -47.25 7.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -52.41 -25.75 10.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.756 ' CB ' HG11 ' A' ' 82' ' ' VAL . 31.9 mtt85 -84.57 -40.66 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -72.46 -23.19 61.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.69 50.56 1.95 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.649 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.607 HD12 ' HD1' ' A' ' 30' ' ' PHE . 36.8 mt -126.8 147.08 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 111.092 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.63 -175.81 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.559 ' HA ' HD12 ' A' ' 40' ' ' LEU . 4.2 mt-10 -59.45 -40.63 87.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.24 -40.94 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.504 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.412 ' HB2' HG23 ' A' ' 35' ' ' ILE . 21.6 mt-30 -81.78 -23.18 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 37' ' ' GLU . 12.2 mt -86.46 -22.38 26.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.259 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 37' ' ' GLU . 64.8 p -81.28 -40.49 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -59.87 129.2 40.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.061 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.01 66.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -38.87 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.493 HG22 HD11 ' A' ' 49' ' ' ILE . 2.4 m -84.98 -41.33 15.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.0 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.0 m -50.57 -59.24 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.786 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -56.54 -40.94 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.015 0.435 . . . . 0.0 109.999 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.627 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.1 tm? -58.96 -33.37 70.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.281 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 45' ' ' THR . 47.2 mt -88.23 -24.01 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.14 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -63.36 -23.85 67.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.403 -178.833 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.9 -18.15 42.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 20.0 t80 -85.77 -60.99 1.86 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.526 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.643 HG21 ' CD1' ' A' ' 59' ' ' LEU . 8.9 mt -66.45 -17.63 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.672 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -80.3 -32.82 37.99 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.788 0.328 . . . . 0.0 111.108 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.26 -38.89 63.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.667 ' HB3' HG22 ' A' ' 62' ' ' VAL . 90.6 mm-40 -59.73 -24.42 64.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.86 -25.58 14.27 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.39 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.889 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 159.69 -176.98 36.38 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.293 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.643 ' CD1' HG21 ' A' ' 53' ' ' ILE . 1.4 mp -80.14 -54.51 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.201 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.17 -31.41 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 173.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.592 ' HB3' ' N ' ' A' ' 58' ' ' GLY . . . -61.63 -31.59 71.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.178 176.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 58' ' ' GLY . 42.6 t -82.49 -43.66 19.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.091 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -51.22 -35.01 34.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.667 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -62.47 -43.47 98.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.837 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -84.44 -40.25 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.798 ' CD1' HD11 ' A' ' 29' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.737 0.303 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.756 HG11 ' CB ' ' A' ' 32' ' ' ARG . 53.9 t -57.03 -45.8 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.29 -26.33 36.16 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.246 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.56 -33.67 60.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.813 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.842 HD12 HG12 ' A' ' 88' ' ' VAL . 2.8 tp -62.99 -46.9 85.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.3 mtt -50.0 -24.8 2.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -77.5 -33.84 54.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.451 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.842 HG12 HD12 ' A' ' 85' ' ' LEU . 1.3 p -65.78 -27.34 41.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.879 0.371 . . . . 0.0 111.048 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 25.2 mmt -76.09 -39.51 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -57.37 -36.01 70.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -60.13 -43.42 95.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.681 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.35 -48.84 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.78 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.522 HG22 ' H ' ' A' ' 11' ' ' TRP . 8.0 p . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.953 0.406 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.13 -30.88 7.56 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.522 ' H ' HG22 ' A' ' 9' ' ' VAL . 22.2 t90 -75.43 112.95 12.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.917 0.389 . . . . 0.0 110.256 177.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -102.3 125.73 35.45 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.91 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.05 88.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.345 2.03 . . . . 0.0 112.135 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.91 -62.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -91.62 -48.43 6.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.069 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.69 -119.45 3.94 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.549 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -81.18 154.38 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 110.995 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.6 66.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.587 HG12 HD12 ' A' ' 22' ' ' LEU . 6.5 m -59.77 -25.03 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.27 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -57.88 -48.65 79.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.714 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.15 30.99 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.587 HD12 HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -61.36 137.74 58.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.036 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.77 142.24 88.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.92 -59.71 0.95 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.576 2.184 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -49.57 -61.05 2.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -52.68 -36.58 57.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.772 179.74 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -30.86 70.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 110.492 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.95 -27.51 24.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.148 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.95 ' CD1' HG22 ' A' ' 82' ' ' VAL . 6.8 tp -58.58 -25.19 62.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.774 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.661 ' HD1' HD12 ' A' ' 35' ' ' ILE . 16.6 m-85 -82.76 -59.69 2.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.791 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -48.94 -29.23 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.045 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.487 ' HB3' HG11 ' A' ' 82' ' ' VAL . 11.4 mtp85 -81.8 -28.34 33.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.31 -23.44 21.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.88 40.26 1.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.897 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.661 HD12 ' HD1' ' A' ' 30' ' ' PHE . 23.2 mt -128.14 148.97 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 111.192 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.12 174.37 10.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' THR . 1.9 tt0 -51.82 -27.16 11.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.53 82.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.276 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -80.41 -29.77 37.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 37' ' ' GLU . 35.6 mt -69.96 -32.5 70.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.127 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 37' ' ' GLU . 24.7 p -67.46 -43.13 81.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.986 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.66 129.53 42.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -41.47 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.32 -34.59 78.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 6.4 m -78.19 -44.46 25.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 p -53.3 -34.69 58.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -62.53 -57.6 10.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 48' ' ' LEU . 1.1 pp -58.23 -30.04 66.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 110.772 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.417 HD11 ' CE ' ' A' ' 89' ' ' MET . 74.0 mt -80.04 -30.14 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -63.4 -23.34 67.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.587 -178.668 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -60.47 -17.79 47.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 47.7 t80 -87.59 -57.36 2.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.61 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.708 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.0 mt -71.43 -18.51 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.834 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 2.8 tm-20 -83.97 -22.16 31.52 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.718 0.294 . . . . 0.0 111.474 178.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -88.89 -46.55 8.83 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.465 ' OE1' ' CE1' ' A' ' 52' ' ' PHE . 5.8 mp0 -55.79 -19.69 12.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.405 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.26 -31.84 4.74 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.021 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.863 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 163.25 151.7 6.53 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.684 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -61.68 -55.14 33.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.863 0.363 . . . . 0.0 110.742 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.914 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -72.96 -31.23 64.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.447 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.542 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -63.19 -26.46 68.82 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.013 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 58' ' ' GLY . 23.6 t -79.07 -41.15 22.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.37 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -51.58 -33.73 33.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.321 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -67.73 -33.2 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.541 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -35.87 42.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.722 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.6 pt? . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.896 0.379 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.95 HG22 ' CD1' ' A' ' 29' ' ' LEU . 61.1 t -55.35 -47.85 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.007 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.98 -42.07 98.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.302 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -51.65 -30.1 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -77.08 -36.68 55.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.803 179.633 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.3 mtt -55.61 -44.59 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -64.29 -35.47 80.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.622 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 84' ' ' ALA . 59.9 t -67.31 -37.27 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.891 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.417 ' CE ' HD11 ' A' ' 49' ' ' ILE . 3.4 mmt -71.22 -37.24 72.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.699 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -66.88 -29.24 69.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.643 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -44.03 84.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.748 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -83.87 -30.72 26.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.768 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.496 HG22 ' H ' ' A' ' 11' ' ' TRP . 9.6 p . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.895 0.379 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.48 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -114.62 -21.57 5.39 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.748 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.496 ' H ' HG22 ' A' ' 9' ' ' VAL . 57.0 t90 -68.32 100.93 1.12 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.178 0.513 . . . . 0.0 110.446 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -84.12 125.41 72.56 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.724 179.403 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.34 77.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.605 2.204 . . . . 0.0 112.343 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER 172.75 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.864 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.93 -52.3 37.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.769 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.96 -87.41 1.14 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.608 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -116.77 159.19 22.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.24 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.63 46.36 2.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.685 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.46 HG21 ' HG3' ' A' ' 37' ' ' GLU . 15.0 p -48.05 -25.66 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.51 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -60.06 -29.49 68.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.172 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -149.51 33.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.015 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.21 140.47 52.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.09 137.92 80.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.38 -44.5 43.05 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.434 2.09 . . . . 0.0 112.181 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 3.0 m-20 -56.72 -57.86 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.773 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.677 HD23 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -61.18 -34.09 74.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 179.486 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -56.58 -46.36 80.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.0 p -70.19 -40.8 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.6 -24.03 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.785 ' HD1' HD12 ' A' ' 35' ' ' ILE . 27.5 m-85 -94.02 -51.61 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 t -53.36 -24.93 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.665 ' HB3' HG11 ' A' ' 82' ' ' VAL . 55.3 mtt-85 -77.29 -24.27 51.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.44 -23.11 20.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.139 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.28 63.44 0.94 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.569 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.785 HD12 ' HD1' ' A' ' 30' ' ' PHE . 22.4 mt -125.59 138.21 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 p -104.49 172.68 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.2 mt-10 -60.83 -31.71 71.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.6 -46.17 73.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -70.29 -37.26 74.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.019 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -68.9 -42.71 76.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 37' ' ' GLU . 61.5 p -74.11 -41.97 60.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.117 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.67 125.52 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.29 -26.9 61.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.02 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.91 -41.34 59.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -86.02 -24.76 26.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.007 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.5 p -50.01 -59.14 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.864 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -65.16 -37.82 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.695 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 tp -57.73 -31.34 66.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.45 HG12 ' CE ' ' A' ' 89' ' ' MET . 24.3 mt -88.33 -22.19 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.402 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -20.26 63.25 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.793 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.32 -17.9 23.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.641 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' HE1' ' HB3' ' A' ' 84' ' ' ALA . 88.0 t80 -86.98 -61.77 1.65 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.8 mt -61.74 -18.23 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.599 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -83.65 -28.96 28.03 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.722 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -50.07 35.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.61 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.705 ' HB3' HG22 ' A' ' 62' ' ' VAL . 2.3 mp0 -55.46 -20.32 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.318 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.75 -26.31 8.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.208 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.919 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 163.05 142.3 3.36 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.654 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.893 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -53.51 -55.3 26.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.731 0.301 . . . . 0.0 111.254 -179.607 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.893 ' N ' HD23 ' A' ' 59' ' ' LEU . 7.0 pt-20 -73.38 -35.79 65.96 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.522 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -58.23 -20.71 44.01 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.616 176.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 58' ' ' GLY . 55.4 t -83.43 -47.17 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 61.2 mtp180 -46.04 -39.38 9.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.274 -179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -52.47 -38.15 58.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -56.02 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.891 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.29 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.752 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 121.072 0.463 . . . . 0.0 111.263 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.665 HG11 ' HB3' ' A' ' 32' ' ' ARG . 5.2 t -55.58 -43.85 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.362 -175.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.44 -38.76 81.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.357 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.573 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -56.17 -38.8 71.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 30' ' ' PHE . 1.6 tt -71.45 -43.23 67.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.905 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.6 mtt -50.7 -29.35 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.749 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.41 ' HA ' ' HG2' ' A' ' 90' ' ' GLN . 0.3 OUTLIER -78.47 -24.12 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.823 179.418 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.76 -32.67 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.45 ' CE ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -81.35 -31.43 33.39 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.594 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 87' ' ' HIS . 12.3 pt20 -65.82 -24.65 66.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.654 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -63.33 -57.76 9.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -61.11 -29.84 70.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 121.016 0.436 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.54 -29.36 8.32 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.861 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.539 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 14.5 t90 -86.19 125.33 33.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.959 0.409 . . . . 0.0 110.566 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -107.92 130.73 22.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.919 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.04 72.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.669 2.246 . . . . 0.0 112.464 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER 172.04 -64.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.94 -44.8 96.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.3 -123.58 6.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.552 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -94.71 170.74 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.71 64.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.62 -33.86 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.082 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 19.3 p30 -54.84 -30.3 57.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 1.2 m-20 -138.51 37.16 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.705 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 22' ' ' LEU . 1.4 mt -69.0 142.47 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.475 ' HB2' HD21 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -57.06 138.91 79.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.44 -43.23 59.3 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.505 2.137 . . . . 0.0 112.525 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.39 -60.86 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.117 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.665 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.6 tm? -49.38 -38.22 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.08 -30.45 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.745 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -84.56 -33.76 23.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.471 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.83 HD23 ' O ' ' A' ' 29' ' ' LEU . 4.8 tt -55.89 -24.15 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.75 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HD11 ' A' ' 53' ' ' ILE . 9.0 m-85 -91.31 -62.68 1.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.3 t -49.61 -26.2 3.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB3' HG21 ' A' ' 82' ' ' VAL . 47.8 mtt-85 -82.52 -27.96 31.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.35 -19.16 34.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.289 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.42 39.12 2.87 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.538 HD12 HD21 ' A' ' 85' ' ' LEU . 43.2 mt -126.53 123.39 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.416 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 43.5 m -104.16 176.53 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 41' ' ' THR . 2.1 mt-10 -54.06 -26.43 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.78 -53.65 45.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.352 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' OE1' ' N ' ' A' ' 36' ' ' SER . 21.4 mp0 -73.84 -29.74 62.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.417 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.85 -27.31 55.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 37' ' ' GLU . 19.2 p -80.89 -25.42 37.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.4 104.21 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.98 -28.0 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.242 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -80.02 -56.56 4.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.099 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.1 m -63.54 -21.04 66.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.451 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -71.47 -43.07 67.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.0 111.378 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -52.07 -57.13 10.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.492 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.13 -24.47 40.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.183 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 85.8 mt -85.95 -26.95 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.456 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.539 ' CE2' ' CZ3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -66.39 -22.64 66.25 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.548 -179.418 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -59.81 -17.94 39.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 32.1 t80 -88.39 -61.21 1.76 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.635 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.557 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -64.87 -18.31 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.891 179.79 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -83.7 -37.76 22.33 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.876 0.369 . . . . 0.0 111.168 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.92 -38.99 26.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.924 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -55.55 -20.28 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 111.402 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.77 -24.93 6.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.899 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.848 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 143.0 147.65 4.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.513 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.823 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -58.82 -55.27 37.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.8 0.333 . . . . 0.0 111.271 -179.281 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.823 ' N ' HD23 ' A' ' 59' ' ' LEU . 13.1 pt-20 -75.25 -34.23 61.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -58.49 -28.05 65.02 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.983 176.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 58' ' ' GLY . 24.9 t -77.37 -41.27 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.524 177.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.2 ttt-85 -51.93 -37.39 52.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.245 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -67.62 -27.93 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.292 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.77 -52.83 5.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.723 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.513 HD21 HG13 ' A' ' 62' ' ' VAL . 8.8 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.703 0.287 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -76.5 -34.48 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.577 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.32 -23.8 66.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.697 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.63 -33.87 58.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.008 0.433 . . . . 0.0 110.546 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.861 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.4 tp -63.55 -36.99 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.523 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.0 mtt -53.44 -22.75 8.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.423 ' HA ' ' HG3' ' A' ' 90' ' ' GLN . 7.0 m170 -80.19 -45.82 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.399 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.838 HG12 HD12 ' A' ' 85' ' ' LEU . 1.2 p -52.28 -27.47 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.906 0.384 . . . . 0.0 111.049 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.6 mmt -75.09 -28.14 60.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.423 ' HG3' ' HA ' ' A' ' 87' ' ' HIS . 5.4 mm-40 -57.86 -34.25 69.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -42.93 88.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -54.66 11.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.031 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.062 -179.669 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.965 0.412 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.75 -33.63 6.04 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.767 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -82.04 146.09 29.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.979 0.418 . . . . 0.0 110.415 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.33 144.34 47.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.5 59.03 2.54 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.826 2.35 . . . . 0.0 112.697 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.31 -73.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -68.52 -50.83 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.28 -130.84 9.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.63 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.59 149.45 26.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.561 ' C ' HD13 ' A' ' 22' ' ' LEU . 14.6 t0 -102.97 38.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.823 HG23 HD22 ' A' ' 22' ' ' LEU . 7.8 p -45.13 -29.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.569 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -54.63 -43.47 72.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.186 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -118.18 27.58 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.265 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.823 HD22 HG23 ' A' ' 19' ' ' VAL . 1.1 tp -52.77 133.34 37.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.001 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.93 142.27 56.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.28 -56.78 2.23 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.548 2.165 . . . . 0.0 112.154 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.407 ' OD1' ' NE ' ' A' ' 63' ' ' ARG . 2.2 m-20 -60.9 -40.79 94.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -64.29 -44.87 90.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -26.74 14.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.557 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.42 -28.76 23.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.342 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.738 ' CD1' HG22 ' A' ' 82' ' ' VAL . 11.0 tp -58.2 -24.8 60.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.795 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CE2' HD12 ' A' ' 26' ' ' LEU . 30.7 m-85 -84.13 -56.84 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.748 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -24.99 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.769 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.846 ' HB3' HG11 ' A' ' 82' ' ' VAL . 83.0 mtt180 -86.96 -24.36 24.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.51 -23.16 19.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.76 29.29 5.03 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.929 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.651 HD12 HD21 ' A' ' 85' ' ' LEU . 24.4 mt -116.04 138.67 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.965 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.91 174.59 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 41' ' ' THR . 3.2 tt0 -50.71 -38.33 46.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.799 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.76 -54.77 20.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.79 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.526 ' HB2' HG23 ' A' ' 35' ' ' ILE . 9.8 mp0 -64.02 -26.43 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.635 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.439 HD13 HD21 ' A' ' 22' ' ' LEU . 21.7 mt -76.67 -46.7 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.136 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 37' ' ' GLU . 23.5 p -68.44 -24.13 64.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.352 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.77 110.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.073 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.06 -35.66 73.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.19 -54.15 14.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -64.34 -30.18 71.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.704 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 p -51.13 -58.46 6.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.682 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -59.38 -31.7 69.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.291 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.0 tm? -69.83 -31.72 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.507 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -88.13 -20.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.183 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.418 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -65.64 -22.07 66.62 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.713 -178.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.3 -19.91 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 74.0 t80 -89.61 -61.37 1.71 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.692 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.572 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -65.37 -19.47 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.956 -179.468 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 1.9 tt0 -84.84 -22.02 29.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.694 0.283 . . . . 0.0 111.293 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 -46.39 8.51 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 7.7 mp0 -55.27 -19.97 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.622 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.8 -30.85 4.74 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.026 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.854 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 158.22 150.39 5.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.848 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.894 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -60.16 -55.3 35.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.875 0.369 . . . . 0.0 110.96 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.894 ' N ' HD23 ' A' ' 59' ' ' LEU . 6.9 pt-20 -73.52 -33.1 64.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 176.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.543 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -59.82 -28.32 67.37 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.868 176.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 58' ' ' GLY . 42.2 t -80.34 -40.01 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.496 176.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' NE ' ' OD1' ' A' ' 25' ' ' ASP . 52.7 ttt-85 -51.89 -30.65 24.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.22 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.11 -38.92 84.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.75 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.89 -35.13 22.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.5 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.6 pt? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.85 0.357 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.846 HG11 ' HB3' ' A' ' 32' ' ' ARG . 48.6 t -62.67 -45.41 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.42 -39.74 74.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.301 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -52.54 -39.09 61.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 110.803 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 35' ' ' ILE . 9.8 tp -70.16 -33.78 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.58 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.73 ' HE2' HG12 ' A' ' 82' ' ' VAL . 28.4 mtt -59.49 -40.35 86.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.758 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -64.33 -51.02 65.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.701 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.9 t -55.53 -25.61 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.7 mmt -79.17 -28.86 42.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -72.74 -33.36 66.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.65 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -30.61 64.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.83 -50.22 8.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.728 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.793 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 10' ' ' GLY . 58.0 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.701 0.286 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.483 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -105.81 -33.73 3.46 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -65.54 101.29 0.58 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.172 0.51 . . . . 0.0 109.948 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 14' ' ' GLN . 38.2 p-10 -80.33 120.52 79.71 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.911 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.22 78.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.436 2.091 . . . . 0.0 112.165 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER 176.32 -66.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -77.56 -50.74 11.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.0 -102.56 1.09 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.583 ' CE2' HD22 ' A' ' 40' ' ' LEU . 30.4 m-85 -97.88 178.19 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.71 78.19 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.788 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.63 HG11 ' HG3' ' A' ' 37' ' ' GLU . 30.3 m -61.67 -26.21 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -56.72 -36.81 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.1 29.95 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -61.73 147.46 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.21 134.94 42.37 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.15 -52.67 7.33 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.531 2.154 . . . . 0.0 112.366 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.43 -50.2 32.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.752 ' HG ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.34 -34.95 61.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 5.7 mtp85 -54.6 -30.12 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.39 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -86.08 -22.17 27.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.936 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.619 HD11 HD12 ' A' ' 81' ' ' LEU . 1.7 tt -69.99 -26.64 64.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 35' ' ' ILE . 7.4 m-85 -78.7 -58.74 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.69 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -51.9 -25.74 8.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.641 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -80.71 -44.0 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.06 -23.43 59.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.16 44.49 1.37 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.949 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.582 HD11 HD22 ' A' ' 85' ' ' LEU . 20.2 mt -128.15 150.78 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -132.65 -177.12 4.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.102 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.63 ' HG3' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -57.06 -46.6 82.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.019 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.12 -28.88 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -84.83 -32.06 23.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.583 HD22 ' CE2' ' A' ' 17' ' ' PHE . 24.4 mt -79.93 -41.85 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.079 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.8 p -59.65 -32.83 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.54 120.99 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.0 -25.38 60.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.9 -40.74 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.972 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.748 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.8 m -76.36 -33.7 58.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -54.85 -45.7 74.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.61 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -55.22 -21.46 14.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.597 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 45' ' ' THR . 2.8 mm? -84.67 -35.06 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.413 0.625 . . . . 0.0 110.153 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.5 mt -84.15 -21.39 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.111 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -74.61 -21.23 59.57 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.599 -179.746 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.17 -17.76 54.65 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.429 ' CG ' ' HG ' ' A' ' 85' ' ' LEU . 57.5 t80 -89.11 -61.31 1.73 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.525 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -65.7 -18.81 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.925 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 6.2 tm-20 -84.08 -38.56 20.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.722 0.296 . . . . 0.0 111.228 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -86.05 -35.81 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.735 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -55.71 -20.1 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.475 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.01 -27.89 4.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.673 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 143.74 154.09 6.04 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.388 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.752 HD23 ' HG ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -65.59 -55.61 16.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.75 0.309 . . . . 0.0 111.677 -179.595 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' N ' HD13 ' A' ' 59' ' ' LEU . 7.6 pt-20 -76.54 -30.33 57.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.638 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -64.34 -27.16 68.83 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.237 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 58' ' ' GLY . 2.3 t -73.7 -40.82 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -52.43 -28.88 21.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.062 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -69.57 -30.0 67.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.605 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -84.95 -55.84 3.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mtt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.701 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.619 HD12 HD11 ' A' ' 29' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.85 0.357 . . . . 0.0 110.699 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.464 ' HA ' HD21 ' A' ' 29' ' ' LEU . 39.2 t -56.16 -27.71 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.19 -34.78 61.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.343 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.98 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.582 HD22 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -71.15 -48.06 54.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.7 mtt -55.63 -28.1 53.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -79.89 -29.9 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.706 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 84' ' ' ALA . 62.0 t -72.51 -37.93 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 74.2 mmm -70.87 -36.37 72.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -55.43 -26.45 42.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.794 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -60.6 -64.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -43.61 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.6 HG22 ' N ' ' A' ' 10' ' ' GLY . 5.4 p . . . . . 0 CA--C 1.541 0.614 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.6 ' N ' HG22 ' A' ' 9' ' ' VAL . . . 162.34 -29.9 0.28 Allowed Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 119.239 0.927 . . . . 0.0 111.235 -178.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.529 ' H ' HG22 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.8 151.39 23.4 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.916 0.388 . . . . 0.0 110.104 178.3 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.24 131.01 24.57 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.616 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.63 -22.24 16.6 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.366 2.044 . . . . 0.0 112.318 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.09 -81.53 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -51.0 -49.03 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.7 -102.69 2.89 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -96.56 151.42 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.07 76.89 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.67 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -61.15 -26.11 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.382 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -63.83 -30.0 71.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.729 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -140.12 44.48 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.854 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD11 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -66.28 146.34 54.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -69.71 119.21 69.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.767 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.77 -23.63 11.81 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.385 2.057 . . . . 0.0 112.55 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -61.23 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -63.76 -26.53 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.172 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -33.86 60.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.388 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.68 -31.06 46.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.534 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.4 tt -59.77 -24.12 63.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.753 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 23.0 m-85 -85.3 -59.27 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.81 -24.07 21.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HB3' HG11 ' A' ' 82' ' ' VAL . 1.7 mtt85 -88.85 -36.29 16.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.85 -23.15 42.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.07 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.89 40.89 1.78 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.63 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.731 HD12 HD21 ' A' ' 85' ' ' LEU . 28.6 mt -125.1 142.81 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.6 -177.2 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.049 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 41' ' ' THR . 1.3 tt0 -54.01 -42.58 69.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.035 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.86 -44.69 59.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.137 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.537 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -72.94 -23.09 60.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.73 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.455 HD13 HD11 ' A' ' 22' ' ' LEU . 56.0 mt -88.36 -27.43 21.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.084 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 37' ' ' GLU . 63.2 p -83.55 -44.22 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.42 131.81 33.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.43 -52.89 9.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.049 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -31.69 56.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 6.9 m -88.27 -45.51 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.223 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.4 p -46.73 -43.14 17.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 111.51 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -59.1 -57.3 13.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.514 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -55.77 -27.92 53.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 110.769 -179.41 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.3 mt -80.26 -20.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.511 ' CE2' ' CZ3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -71.95 -30.22 65.08 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.438 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -54.73 -21.2 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.142 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 68.9 t80 -82.67 -61.33 1.91 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.326 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.5 mt -64.35 -18.26 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.696 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' OE1' ' CZ ' ' A' ' 50' ' ' TYR . 1.1 tt0 -83.85 -36.52 23.38 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 111.185 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -86.27 -36.18 19.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.654 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -55.6 -19.92 11.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.37 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.72 -20.22 7.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.221 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.831 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 136.67 148.35 5.48 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.118 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -65.34 -55.51 17.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.816 0.341 . . . . 0.0 110.745 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.897 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.8 pt-20 -66.96 -33.28 75.24 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.476 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -63.86 -27.72 69.36 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.93 176.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 58' ' ' GLY . 23.0 t -83.45 -40.4 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.568 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -52.15 -33.17 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.454 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.35 -30.12 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.622 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -84.82 -51.02 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.952 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD21 HG13 ' A' ' 62' ' ' VAL . 46.9 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.908 0.385 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.491 HG11 ' HB3' ' A' ' 32' ' ' ARG . 36.9 t -80.43 -38.29 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.732 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.63 74.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.236 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -57.45 -34.75 69.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 110.754 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 85' ' ' LEU . 2.6 tp -78.04 -30.31 49.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.578 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.4 mtt -61.99 -39.45 92.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.498 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -67.99 -43.0 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.709 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 84' ' ' ALA . 21.6 t -64.8 -24.01 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.038 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.4 mmt -81.36 -24.51 37.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.705 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -73.81 -32.87 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.683 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -50.08 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.405 ' HG2' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.22 -50.39 71.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.793 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 179.8 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.515 HG22 ' N ' ' A' ' 10' ' ' GLY . 7.5 p . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 121.623 0.725 . . . . 0.0 112.426 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.515 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -101.2 -38.3 3.35 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.949 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 1.6 t90 -70.95 129.73 39.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.053 0.454 . . . . 0.0 110.515 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 18.3 m-20 -106.33 130.53 22.82 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.504 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 53.0 Cg_exo -54.81 149.81 39.76 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.337 2.025 . . . . 0.0 112.261 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 69.72 7.81 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.933 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -123.9 -60.25 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.23 -131.89 10.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.412 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB3' HD11 ' A' ' 22' ' ' LEU . 46.2 m-85 -98.01 145.39 26.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.884 0.373 . . . . 0.0 111.062 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.654 ' C ' HD13 ' A' ' 22' ' ' LEU . 4.7 t70 -103.23 58.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.21 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.811 ' N ' HD13 ' A' ' 22' ' ' LEU . 28.8 m -39.89 -31.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.119 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -54.52 -39.51 67.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.97 0.414 . . . . 0.0 110.41 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -122.85 26.02 8.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.39 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -53.11 153.15 3.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 -179.513 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.6 118.35 71.47 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -45.18 -29.16 3.99 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.588 2.192 . . . . 0.0 112.671 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' HB2' ' CD ' ' A' ' 63' ' ' ARG . 1.9 t0 -71.82 -61.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.976 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD13 ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -63.78 -28.47 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.074 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -33.69 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.432 . . . . 0.0 110.231 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.4 m -86.15 -30.35 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.29 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.752 HD11 HD11 ' A' ' 81' ' ' LEU . 10.1 tt -55.51 -29.79 59.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.465 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' HD1' HD12 ' A' ' 35' ' ' ILE . 18.0 m-85 -84.13 -48.35 9.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.743 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -57.43 -24.72 57.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.761 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.533 ' HB3' HG11 ' A' ' 82' ' ' VAL . 1.8 mtp85 -87.14 -25.17 24.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -92.68 14.41 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.6 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.85 38.69 89.48 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.878 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.632 HD12 HD21 ' A' ' 85' ' ' LEU . 19.6 mt -125.95 147.96 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.976 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.81 179.2 5.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.633 ' HG3' HG11 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -51.7 -40.81 60.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.82 -53.42 25.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.41 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -62.23 -30.58 71.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.408 HD21 ' CE1' ' A' ' 30' ' ' PHE . 82.2 mt -78.88 -41.35 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.2 p -66.77 -33.98 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.06 115.22 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -29.85 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -80.44 -50.09 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.427 HG22 HD11 ' A' ' 49' ' ' ILE . 2.7 m -67.46 -37.73 83.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -46.37 -59.36 3.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -38.56 82.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.239 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.627 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.9 tm? -61.1 -28.7 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.491 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.427 HD11 HG22 ' A' ' 45' ' ' THR . 56.4 mt -88.49 -25.63 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.732 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.81 -21.19 66.73 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.632 -178.86 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -61.58 -17.37 54.76 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 27.7 t80 -88.63 -60.39 1.97 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.744 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.73 HG21 ' HB2' ' A' ' 59' ' ' LEU . 3.0 mt -67.58 -17.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.869 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 2.3 tm-20 -83.16 -33.03 26.33 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.49 -28.18 20.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.323 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -63.59 -12.8 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.642 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.35 -21.94 23.36 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.996 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.945 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 142.66 148.68 5.01 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.322 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.918 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -65.82 -54.61 24.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.757 0.313 . . . . 0.0 110.837 -179.381 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.918 ' N ' HD23 ' A' ' 59' ' ' LEU . 1.5 pt-20 -65.16 -31.48 72.68 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 175.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -66.49 -27.41 67.76 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.986 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 58' ' ' GLY . 42.5 t -76.06 -37.22 33.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.401 177.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.448 ' CD ' ' HB2' ' A' ' 25' ' ' ASP . 20.4 mtm180 -53.0 -34.15 55.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.798 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.96 -24.12 66.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.533 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 66' ' ' MET . 7.5 tm-20 -84.76 -54.84 4.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.672 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.404 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 40.7 mtp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.752 HD11 HD11 ' A' ' 29' ' ' LEU . 2.1 pt? . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.963 0.411 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.533 HG11 ' HB3' ' A' ' 32' ' ' ARG . 39.7 t -50.24 -50.07 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.981 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.96 -28.9 54.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.295 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.48 -30.04 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.903 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.85 HD12 HG12 ' A' ' 88' ' ' VAL . 1.1 tp -68.88 -44.9 72.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 14.0 mtt -51.09 -24.1 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -75.73 -39.73 56.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.85 HG12 HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -63.18 -27.96 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 110.864 -179.429 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.441 ' SD ' HG13 ' A' ' 88' ' ' VAL . 46.9 mmm -80.35 -35.56 35.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -57.31 -27.09 61.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.423 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -67.24 -49.41 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.683 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -82.19 -23.49 35.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.044 179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 10' ' ' GLY . 24.5 t . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 121.036 0.446 . . . . 0.0 111.456 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.506 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -111.36 -31.77 2.73 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -65.78 104.76 1.12 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.18 0.514 . . . . 0.0 110.173 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.7 116.47 66.5 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -51.54 153.62 10.31 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.306 2.004 . . . . 0.0 112.329 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.17 0.96 3.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.771 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -128.62 -62.44 1.02 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.855 0.359 . . . . 0.0 110.738 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.39 -137.52 14.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.474 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.503 ' CE2' HD22 ' A' ' 40' ' ' LEU . 55.4 m-85 -77.55 176.21 9.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.47 55.61 0.86 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.87 HG12 HD13 ' A' ' 22' ' ' LEU . 22.0 m -47.56 -30.11 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.43 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -27.67 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.502 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -137.74 10.57 2.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.422 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -68.97 153.43 43.82 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.05 0.452 . . . . 0.0 111.418 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.45 144.93 87.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -72.46 -37.45 4.25 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.657 2.238 . . . . 0.0 112.22 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.91 -47.16 86.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.883 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.9 tm? -71.69 -30.91 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HG3' HD21 ' A' ' 22' ' ' LEU . 1.5 ttt180 -58.1 -37.66 74.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -32.34 65.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 29' ' ' LEU . 2.8 tt -53.88 -25.05 18.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.793 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CD1' HD12 ' A' ' 35' ' ' ILE . 26.9 m-85 -87.93 -54.69 4.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -51.38 -25.57 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.518 ' CB ' HG11 ' A' ' 82' ' ' VAL . 72.8 mtt180 -86.38 -38.79 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.58 -23.18 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.29 -20.0 10.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.674 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.712 HD11 HD22 ' A' ' 85' ' ' LEU . 22.0 mt -67.7 138.22 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 111.185 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.1 p -123.44 178.05 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.13 -35.84 27.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.21 75.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.604 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -77.39 -22.58 51.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD22 ' CE2' ' A' ' 17' ' ' PHE . 19.8 mt -88.08 -31.8 19.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.111 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 p -72.66 -35.31 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -71.98 113.11 8.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.68 96.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.995 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.63 -37.25 67.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.553 HG22 HD11 ' A' ' 49' ' ' ILE . 4.9 m -81.25 -37.69 28.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.003 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -54.95 -39.13 68.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.02 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -51.83 67.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.344 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 45' ' ' THR . 1.0 OUTLIER -66.22 -22.82 66.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.692 0.282 . . . . 0.0 111.013 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.553 HD11 HG22 ' A' ' 45' ' ' THR . 64.2 mt -88.15 -31.19 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.591 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.71 -20.96 66.63 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.08 -178.113 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.16 -17.68 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.417 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 85.1 t80 -85.93 -61.13 1.82 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.477 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.517 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -66.33 -18.45 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.772 179.185 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -83.61 -31.56 26.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 178.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -43.21 18.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.91 -178.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -55.5 -20.21 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.688 0.28 . . . . 0.0 111.318 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.82 -28.78 5.58 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.869 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.892 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 152.97 152.62 6.05 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.586 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.894 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -64.06 -55.11 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 0.0 110.947 -179.145 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.894 ' N ' HD23 ' A' ' 59' ' ' LEU . 7.4 pt-20 -72.56 -29.09 63.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.511 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -66.85 -27.32 67.44 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.006 176.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 58' ' ' GLY . 11.0 t -71.12 -39.42 73.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.307 177.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -51.24 -31.5 21.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.812 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -72.0 -31.59 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.399 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.99 -47.7 9.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.994 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.518 HG11 ' CB ' ' A' ' 32' ' ' ARG . 46.6 t -76.17 -43.22 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.27 -26.48 63.95 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.266 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.87 -33.11 74.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.975 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.712 HD22 HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -74.35 -26.29 60.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.737 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.97 -39.09 90.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -68.62 -40.47 80.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.5 t -68.25 -20.82 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -28.5 55.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 0.0 110.525 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -58.69 -26.44 63.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.621 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -52.67 -40.73 63.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -75.63 -44.7 41.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.81 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.436 HG12 ' H ' ' A' ' 11' ' ' TRP . 45.5 t . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.998 0.428 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.7 -32.52 8.01 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.745 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.436 ' H ' HG12 ' A' ' 9' ' ' VAL . 6.6 t90 -79.15 136.05 37.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.98 0.419 . . . . 0.0 110.385 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -121.64 135.18 24.94 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.911 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 22.8 Cg_exo -63.3 71.22 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.378 2.052 . . . . 0.0 112.06 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -174.05 -76.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.953 -179.599 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.8 -49.06 67.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.4 -118.35 4.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.572 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.461 ' CD2' ' HA ' ' A' ' 40' ' ' LEU . 4.6 m-85 -88.19 158.21 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.953 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.541 ' C ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -109.4 39.8 2.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.423 179.015 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.75 HG23 HD22 ' A' ' 22' ' ' LEU . 11.7 p -45.55 -29.75 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.405 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -54.84 -48.13 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.011 0.434 . . . . 0.0 110.072 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -112.85 27.54 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.228 178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 19' ' ' VAL . 1.5 tp -52.83 136.82 33.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.077 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.58 142.14 85.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.7 -48.56 21.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.481 2.12 . . . . 0.0 112.206 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' CB ' ' HG3' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -58.09 -57.69 11.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.023 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.717 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -62.35 -27.77 69.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 3.9 mtp180 -64.68 -31.99 73.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.4 p -80.98 -31.94 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.465 HD11 ' HG ' ' A' ' 81' ' ' LEU . 5.4 tp -58.03 -23.1 52.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.781 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CE2' HD12 ' A' ' 26' ' ' LEU . 21.2 m-85 -84.76 -63.85 1.26 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.6 p -50.11 -25.7 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.733 ' CB ' HG21 ' A' ' 82' ' ' VAL . 61.3 mtt180 -84.59 -26.64 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.848 ' HB2' HG23 ' A' ' 82' ' ' VAL . . . -90.78 -22.54 20.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.6 -22.65 9.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.76 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.802 HD11 HD11 ' A' ' 85' ' ' LEU . 29.3 mt -66.2 152.15 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.162 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.6 -179.68 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.733 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -55.91 -34.92 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.31 69.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.446 ' CB ' HG23 ' A' ' 35' ' ' ILE . 5.8 mp0 -76.54 -35.35 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.996 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.526 HD13 HD21 ' A' ' 22' ' ' LEU . 21.5 mt -71.99 -45.45 60.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 37' ' ' GLU . 81.3 p -59.92 -32.15 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.13 99.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.813 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.69 -27.84 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.293 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.424 ' O ' HD13 ' A' ' 48' ' ' LEU . 48.7 mt-10 -77.96 -60.37 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.822 ' HA ' HD22 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -53.46 -25.7 17.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -55.94 -39.06 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.265 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -27.0 61.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.143 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.822 HD22 ' HA ' ' A' ' 45' ' ' THR . 2.8 mp -70.25 -40.24 74.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.511 0.672 . . . . 0.0 109.384 177.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.5 mt -88.78 -21.08 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.1 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.29 -24.8 67.79 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.104 -0.639 . . . . 0.0 110.468 -178.465 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.51 -19.71 39.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 87.7 t80 -89.39 -57.66 2.8 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.793 -179.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.713 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.8 mt -71.02 -18.87 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 1.6 tm-20 -83.79 -36.13 23.79 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.832 0.348 . . . . 0.0 110.828 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -89.43 -34.77 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.203 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -55.98 -19.67 13.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.315 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.92 -23.96 7.22 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.058 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.849 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 141.21 149.44 5.24 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.283 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.863 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -62.54 -55.47 27.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.418 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.863 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.7 pt-20 -74.17 -32.47 63.1 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.561 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -61.75 -26.35 68.02 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.997 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 58' ' ' GLY . 5.2 t -73.6 -40.46 54.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 25' ' ' ASP . 7.4 mtp180 -53.25 -30.63 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.975 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.34 -36.67 74.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.736 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.2 -45.41 12.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.52 ' HG2' HD23 ' A' ' 81' ' ' LEU . 2.6 mmm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.805 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.531 HD21 HG13 ' A' ' 62' ' ' VAL . 4.3 tp . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.911 0.386 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.848 HG23 ' HB2' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -80.17 -39.21 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.075 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.445 ' HA2' ' CE ' ' A' ' 86' ' ' MET . . . -55.63 -25.69 43.85 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.323 -0.941 . . . . 0.0 111.298 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.66 -32.87 60.34 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.017 0.437 . . . . 0.0 110.443 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.802 HD11 HD11 ' A' ' 35' ' ' ILE . 1.8 tp -64.36 -34.85 79.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.18 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.445 ' CE ' ' HA2' ' A' ' 83' ' ' GLY . 48.8 mtt -52.04 -39.79 60.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.483 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -59.52 -61.44 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.724 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.18 -25.39 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.166 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 mmt -80.19 -33.83 37.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.815 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -62.92 -28.96 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -47.65 84.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -72.66 -54.96 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.525 HG22 ' N ' ' A' ' 10' ' ' GLY . 7.1 p . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.128 0.49 . . . . 0.0 111.548 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.525 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -104.21 -43.36 1.76 Allowed Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CE2' ' O ' ' A' ' 13' ' ' PRO . 48.8 t90 -71.16 115.93 10.88 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 173.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -157.34 78.97 3.59 Favored Pre-proline 0 N--CA 1.466 0.362 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -174.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' O ' ' CE2' ' A' ' 11' ' ' TRP . 70.9 Cg_endo -107.05 -88.86 0.0 OUTLIER 'Cis proline' 0 N--CA 1.44 -1.674 0 C-N-CA 125.698 -0.542 . . . . 0.0 110.835 -7.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.86 -7.09 31.37 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.63 -31.04 1.03 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.342 0.591 . . . . 0.0 109.928 178.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.22 162.63 14.41 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.822 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.529 ' CD2' HD22 ' A' ' 40' ' ' LEU . 50.5 m-85 -52.59 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.925 -0.637 . . . . 0.0 111.188 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.74 47.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.276 178.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.406 HG11 ' HG3' ' A' ' 37' ' ' GLU . 27.2 m -40.81 -38.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.834 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -54.79 -32.57 60.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.66 29.23 5.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.84 126.45 27.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.992 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 1.5 t0 -67.17 143.45 97.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 52.1 Cg_exo -54.9 -49.19 17.5 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.5 2.133 . . . . 0.0 112.288 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' CB ' ' CG ' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -51.05 -61.35 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.952 -179.757 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.591 ' O ' HD13 ' A' ' 26' ' ' LEU . 1.7 tm? -57.26 -43.57 83.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.617 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -27.75 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -86.17 -26.58 25.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.568 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.908 HD12 HG22 ' A' ' 82' ' ' VAL . 8.5 tp -65.35 -22.95 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.755 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.74 ' CD1' HD12 ' A' ' 35' ' ' ILE . 8.3 m-85 -86.16 -59.65 2.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.839 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.61 -31.46 16.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.7 ' HB3' HG11 ' A' ' 82' ' ' VAL . 67.9 mtt-85 -75.05 -24.49 58.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.43 -23.28 16.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.235 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.85 46.21 1.52 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.763 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.74 HD12 ' CD1' ' A' ' 30' ' ' PHE . 17.0 mt -125.67 155.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.941 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 35' ' ' ILE . 18.0 p -135.53 -178.66 5.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.275 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.631 ' O ' HG23 ' A' ' 41' ' ' THR . 1.5 tt0 -55.82 -46.17 78.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.051 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.54 -42.79 34.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.442 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -67.61 -32.29 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.542 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.529 HD22 ' CD2' ' A' ' 17' ' ' PHE . 17.0 mt -82.53 -24.88 33.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.054 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 37' ' ' GLU . 70.9 p -79.39 -36.32 39.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.962 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.57 137.85 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -41.34 22.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.358 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -38.83 75.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.062 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.574 ' HA ' HD23 ' A' ' 48' ' ' LEU . 24.8 m -73.24 -45.78 53.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.071 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 m -48.52 -26.61 2.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.225 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -56.45 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.078 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 45' ' ' THR . 1.6 pp -59.44 -32.08 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 45' ' ' THR . 48.3 mt -74.75 -37.04 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.481 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -63.54 -20.61 65.77 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.228 -177.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -59.59 -19.81 51.44 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.627 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CG ' ' OE1' ' A' ' 56' ' ' GLN . 12.3 t80 -89.87 -61.2 1.74 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.073 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -67.71 -19.48 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.053 -178.879 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.481 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 1.1 tm-20 -84.47 -28.8 26.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 111.041 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -90.06 -45.86 8.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.837 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 3.3 mp0 -55.19 -20.87 11.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 0.0 111.315 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.13 -32.62 2.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.208 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.796 ' HA3' ' HB3' ' A' ' 61' ' ' ALA . . . 150.77 160.5 9.41 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.833 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -63.94 -55.19 24.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.965 0.412 . . . . 0.0 110.643 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.648 ' N ' HD23 ' A' ' 59' ' ' LEU . 25.3 pt-20 -82.08 -34.29 29.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.796 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -57.91 -26.88 62.76 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.014 176.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 58' ' ' GLY . 1.7 t -72.07 -41.07 67.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CG ' ' CB ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -52.92 -34.99 57.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.097 178.467 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -65.65 -33.3 75.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.365 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -39.45 18.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.744 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.612 HD12 HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.598 0.237 . . . . 0.0 111.301 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.908 HG22 HD12 ' A' ' 29' ' ' LEU . 45.2 t -56.95 -37.2 53.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.808 0.337 . . . . 0.0 110.994 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.11 -33.31 78.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.668 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.73 -35.26 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.183 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -70.7 -44.63 66.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.742 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.6 mtt -45.39 -56.29 5.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.23 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -51.31 -61.49 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.39 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.0 t -47.32 -26.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.818 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.8 mmm -82.43 -23.72 34.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.719 0.295 . . . . 0.0 111.044 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -67.65 -24.79 65.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.838 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -31.77 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -74.8 -42.02 58.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.801 0.334 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.95 -173.17 39.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -133.34 162.44 31.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -92.87 129.96 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.64 151.25 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.678 HG21 ' H12' ' A' ' 108' ' ' WSK . 10.3 m -148.43 121.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.12 -15.26 51.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.434 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -83.82 6.69 20.46 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.955 HG23 ' H10' ' A' ' 108' ' ' WSK . 6.2 p -79.97 153.61 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.088 0.47 . . . . 0.0 111.035 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -96.92 -31.64 6.88 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.571 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' H ' HG22 ' A' ' 9' ' ' VAL . 3.7 t90 -87.85 151.45 22.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 0.0 110.613 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -149.98 147.94 23.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.0 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.93 68.39 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.648 2.232 . . . . 0.0 112.295 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -159.69 -70.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.983 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -77.73 -70.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.76 -115.08 2.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.537 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 8.1 m-85 -102.95 129.69 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -95.52 67.54 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 20' ' ' ASN . 25.9 m -55.82 -41.09 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.402 ' N ' HG23 ' A' ' 19' ' ' VAL . 18.7 p30 -54.95 -30.35 58.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -129.2 27.64 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -63.61 130.7 45.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' OD1' ' HD2' ' A' ' 63' ' ' ARG . 0.9 OUTLIER -53.74 134.96 55.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.48 -58.71 1.58 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.475 2.117 . . . . 0.0 112.379 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.59 -57.82 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.541 ' HG ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -53.27 -36.31 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -48.91 68.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.2 m -69.92 -31.08 68.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HG22 ' A' ' 82' ' ' VAL . 6.3 tp -58.4 -21.82 51.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' HD1' HD12 ' A' ' 35' ' ' ILE . 17.3 m-85 -93.48 -53.69 3.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.745 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -26.93 9.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.701 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.7 mtt-85 -78.14 -39.02 42.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.037 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' N ' ' CG1' ' A' ' 82' ' ' VAL . . . -75.82 -23.46 55.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.187 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.43 47.06 1.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.715 HD12 HD21 ' A' ' 85' ' ' LEU . 57.1 mt -125.74 138.89 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.733 0.301 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.6 p -116.63 -179.6 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.169 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.679 ' O ' HG23 ' A' ' 41' ' ' THR . 1.2 mt-10 -59.76 -23.6 63.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.39 93.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.164 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.9 -24.25 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mt -90.37 -21.52 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.326 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 37' ' ' GLU . 77.1 p -94.49 33.64 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.131 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.13 117.66 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.12 -23.38 54.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -78.95 -42.4 26.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.066 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.569 HG22 HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -85.54 -31.41 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.9 p -50.1 -36.14 28.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -40.91 16.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.759 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.633 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.8 tm? -57.69 -32.5 67.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.717 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.569 HD11 HG22 ' A' ' 45' ' ' THR . 10.2 mt -88.04 -24.72 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.29 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.718 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -55.83 -21.74 21.29 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.374 -179.244 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -59.15 -18.6 37.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.67 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -87.14 -61.42 1.73 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.165 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.602 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -63.51 -18.61 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.31 178.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.669 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 3.2 tm-20 -83.88 -48.59 9.87 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.99 0.424 . . . . 0.0 110.98 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.26 -34.92 63.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.526 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -55.7 -21.07 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.174 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.05 -22.11 9.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.265 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.933 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 142.05 141.39 3.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.62 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.99 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -56.52 -55.62 31.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 -179.36 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.908 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.2 pt-20 -70.41 -32.12 69.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.499 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -64.13 -21.96 66.75 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.839 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 58' ' ' GLY . 77.0 t -83.4 -37.92 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.451 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.406 ' HD2' ' OD1' ' A' ' 23' ' ' ASP . 9.3 mtp85 -46.98 -44.82 20.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.17 -24.83 66.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.712 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -84.24 -48.57 9.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -34.71 58.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.646 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -28.79 70.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.805 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -35.49 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -96.3 68.59 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.68 -160.64 23.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.55 -95.73 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.5 m -132.82 59.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.26 -134.26 26.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.48 -104.41 2.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 t 176.91 49.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -118.05 104.11 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.5 t 61.3 120.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.5 m -93.44 -24.74 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.041 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.62 -160.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 81' ' ' LEU . . . 60.59 103.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.893 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 80' ' ' GLY . 12.4 tp 80.33 -54.06 0.36 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.634 0.254 . . . . 0.0 111.099 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.701 HG11 ' HB3' ' A' ' 32' ' ' ARG . 19.5 t -75.59 -33.45 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.184 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.14 -21.9 57.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.585 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.35 -42.46 22.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.833 ' O ' HD12 ' A' ' 85' ' ' LEU . 3.9 tp -61.88 -24.95 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.782 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 mtt -71.23 -29.62 65.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.081 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -78.94 -27.01 43.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.2 t -72.57 -27.66 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 51.5 mmm -83.01 -24.6 32.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.65 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -60.55 -32.74 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.64 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -59.07 -42.42 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.75 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -78.89 -28.53 44.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.027 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 m -68.04 -37.73 81.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -64.22 -25.04 67.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.28 121.17 32.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.662 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.0 mp -93.85 -54.6 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.762 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 2.0 m80 -176.48 46.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -85.96 -29.38 23.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.5 p -58.5 -36.95 74.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -104.59 42.16 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -97.11 123.08 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.8 67.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -73.02 126.19 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.982 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.9 -19.71 10.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.426 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -72.56 136.71 45.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 111.007 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -119.93 135.05 55.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.469 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 0.99 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.0 p . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.761 0.315 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.43 38.19 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -70.28 82.29 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.98 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -142.82 98.7 3.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.868 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -108.3 102.33 11.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m -123.8 137.63 56.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.9 m -60.6 -41.63 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 74.69 76.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.675 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.707 HG23 ' H10' ' A' ' 108' ' ' WSK . 3.7 p -167.87 149.49 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.07 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' HA3' 'BR2 ' ' A' ' 108' ' ' WSK . . . -76.23 -40.73 28.25 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.178 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.54 ' H ' HG22 ' A' ' 9' ' ' VAL . 3.5 t90 -76.0 135.66 39.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.833 0.349 . . . . 0.0 110.454 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.36 135.79 27.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 35.3 Cg_exo -57.55 85.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.458 2.105 . . . . 0.0 112.272 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 172.92 -77.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -68.39 -46.71 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 -179.793 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.25 -101.01 2.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.54 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 14.8 m-85 -102.62 153.02 20.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.796 0.331 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -114.31 64.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.709 ' HA ' HD12 ' A' ' 22' ' ' LEU . 34.2 m -53.07 -29.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -72.34 -29.94 64.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.49 34.21 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.012 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -76.15 136.79 39.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.59 148.85 95.35 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.992 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.13 -60.02 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.446 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 3.4 m-20 -54.38 -51.79 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD12 HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -55.89 -43.0 76.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -44.28 75.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -25.69 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.766 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.901 HD12 HG22 ' A' ' 82' ' ' VAL . 8.0 tp -65.13 -22.03 66.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.438 ' HZ ' HD11 ' A' ' 53' ' ' ILE . 13.2 m-85 -90.61 -53.5 4.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -21.31 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.747 ' HB3' HG11 ' A' ' 82' ' ' VAL . 3.9 mtt180 -81.07 -24.67 37.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.59 -23.16 17.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.37 30.31 4.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.721 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' A' ' 85' ' ' LEU . 22.8 mt -107.63 132.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.019 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.4 169.45 8.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.179 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.64 ' HG3' HG11 ' A' ' 19' ' ' VAL . 5.9 tt0 -52.14 -46.3 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.018 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.85 -38.64 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -76.98 -24.48 52.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -80.57 -32.34 36.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.959 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 37' ' ' GLU . 19.1 p -69.7 -46.74 65.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.29 116.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.065 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.11 -52.42 65.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.002 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -53.71 -48.52 69.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.669 HG22 ' CD1' ' A' ' 49' ' ' ILE . 32.5 m -67.21 -37.08 83.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -52.76 -52.8 55.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.679 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -66.15 -34.6 78.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.563 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.76 -37.94 88.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.835 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.669 ' CD1' HG22 ' A' ' 45' ' ' THR . 18.1 mt -87.34 -20.53 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.509 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.741 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -59.94 -20.54 58.03 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.724 -178.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.09 -17.79 42.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.83 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CG ' ' HG ' ' A' ' 85' ' ' LEU . 60.4 t80 -86.31 -62.0 1.61 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.557 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.55 HG21 ' CD1' ' A' ' 59' ' ' LEU . 14.1 mt -64.25 -17.74 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.607 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.749 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 1.6 tt0 -82.95 -24.37 33.03 Favored 'General case' 0 CA--C 1.527 0.061 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.121 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -83.56 -47.15 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.723 ' HB3' HG22 ' A' ' 62' ' ' VAL . 6.1 mp0 -55.74 -23.74 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.14 -24.97 11.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.56 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.895 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 158.31 -169.69 34.91 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.601 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.031 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 1.2 mp -84.7 -54.75 4.5 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.915 0.358 . . . . 0.0 110.308 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.46 -30.89 70.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.538 ' HB3' ' N ' ' A' ' 58' ' ' GLY . . . -61.09 -39.36 89.63 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.495 176.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 58' ' ' GLY . 92.9 t -83.73 -53.89 10.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.887 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.446 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 16.0 mtm180 -47.17 -26.69 1.2 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.39 -28.55 46.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.283 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.22 -58.44 2.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.645 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.41 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -62.95 -14.37 46.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.567 -178.586 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -52.0 -39.52 59.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.842 0.354 . . . . 0.0 110.677 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 172.17 40.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.778 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -104.74 145.94 29.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.52 61.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.44 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.68 -101.11 2.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -114.61 28.9 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.73 -52.98 1.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.07 -117.63 4.38 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.654 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.2 m 77.7 41.08 0.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.401 . . . . 0.0 110.309 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -62.13 79.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.004 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 75' ' ' SER . 3.5 m 60.56 90.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 52.85 -163.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.51 -178.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.99 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.09 6.53 31.92 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.762 -0.733 . . . . 0.0 113.082 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD21 HG13 ' A' ' 62' ' ' VAL . 26.9 tp 171.89 -33.73 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 110.395 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.901 HG22 HD12 ' A' ' 29' ' ' LEU . 58.5 t -72.36 -29.68 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.946 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.83 -31.52 72.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.304 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.35 -51.75 54.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 110.836 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 85' ' ' LEU . 1.8 tt -53.0 -34.13 54.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.724 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.2 mtt -53.12 -43.69 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -62.58 -40.99 98.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.638 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.55 -22.9 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.127 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.89 -26.71 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.549 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -61.57 -26.41 67.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.709 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -62.99 -50.74 69.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -56.42 -43.1 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.3 m -57.1 -44.81 83.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -47.73 78.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.31 101.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.388 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.6 mm -84.29 -42.57 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -75.7 88.56 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -37.16 84.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.744 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -66.64 -38.18 86.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.748 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 50.31 34.47 8.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.034 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -139.11 71.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -155.39 104.73 0.26 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.423 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -114.19 -20.89 10.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.669 0.271 . . . . 0.0 111.24 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.95 172.71 12.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 0.0 110.974 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -33.11 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.61 111.52 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.461 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 1.031 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.68 -57.46 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.589 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -100.25 137.1 39.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -57.74 124.05 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.67 97.38 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.446 HG22 ' H ' ' A' ' 8' ' ' HIS . 13.2 p -178.93 144.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.114 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m -48.77 -27.28 2.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 110.784 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.446 ' H ' HG22 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 64.71 49.43 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.401 179.171 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.841 HG23 ' H10' ' A' ' 108' ' ' WSK . 4.6 p -51.71 150.8 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.828 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.48 -36.37 7.48 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.081 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.563 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 8.1 t90 -77.42 153.36 33.71 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.211 0.529 . . . . 0.0 110.591 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' CB ' ' HB2' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -133.3 144.78 53.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.381 178.629 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.4 -15.84 20.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.662 2.242 . . . . 0.0 112.848 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -116.64 -52.39 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 111.336 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 12' ' ' ASP . 9.6 m-80 -47.53 -46.57 27.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.15 -159.8 30.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.511 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.533 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 4.5 m-85 -74.57 154.02 38.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.96 46.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.642 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.613 HG21 ' HG3' ' A' ' 37' ' ' GLU . 10.9 p -52.25 -24.78 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.28 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -54.99 -44.67 74.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.563 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -133.74 47.46 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.596 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -61.37 129.27 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.001 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.67 144.32 25.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.176 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.14 -54.87 4.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.515 2.143 . . . . 0.0 112.119 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -41.36 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.673 HD23 ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -72.82 -42.34 63.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.19 -26.11 37.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.693 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -86.43 -27.86 23.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.392 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.655 ' CD1' HG22 ' A' ' 82' ' ' VAL . 7.3 tp -65.43 -21.88 66.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.865 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -90.58 -59.58 2.14 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.98 0.419 . . . . 0.0 110.951 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -48.83 -33.71 11.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.597 ' HB3' HG11 ' A' ' 82' ' ' VAL . 5.4 mtt180 -72.87 -37.44 67.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.423 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -77.37 -23.07 50.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.211 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.92 47.49 2.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.581 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.693 HD11 HD11 ' A' ' 85' ' ' LEU . 27.6 mt -122.93 140.53 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.93 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -109.36 -176.16 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.613 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.1 mt-10 -65.91 -35.84 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.59 -50.09 33.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.319 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.4 -33.19 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.43 -43.7 66.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.958 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.7 p -70.98 -32.15 68.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.71 109.46 2.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.25 68.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.41 -36.29 82.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.84 -29.41 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.715 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' TYR . 4.5 p -51.1 -57.71 7.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -60.37 -28.88 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.207 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.624 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.9 tm? -73.82 -34.51 64.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.29 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.1 mt -88.09 -20.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.155 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.694 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -67.03 -22.72 65.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.649 -179.059 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.71 -17.88 50.85 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 77.7 t80 -88.53 -57.39 2.93 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.542 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.659 HG21 ' HB2' ' A' ' 59' ' ' LEU . 1.5 mt -70.18 -18.88 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.764 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.65 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 12.5 tm-20 -84.25 -36.16 22.89 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.82 0.343 . . . . 0.0 111.046 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -81.08 -41.37 22.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.628 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -55.54 -20.71 14.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 0.0 111.222 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.62 -28.35 5.74 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.121 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.876 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 153.17 149.18 5.09 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.968 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -59.71 -55.47 33.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.809 0.337 . . . . 0.0 110.988 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.894 ' N ' HD23 ' A' ' 59' ' ' LEU . 8.7 pt-20 -74.15 -33.8 63.63 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.585 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -58.67 -26.71 64.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.034 176.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 58' ' ' GLY . 36.5 t -79.49 -39.3 20.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.428 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -53.65 -31.4 47.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.123 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -77.1 -29.73 54.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.494 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -84.01 -46.15 12.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -35.96 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.763 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -71.13 -43.59 67.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.26 -32.17 66.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.92 95.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.24 -127.01 8.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.542 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.59 -175.08 6.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.65 47.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.66 -23.44 30.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -76.41 151.82 40.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.626 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.7 t -133.86 43.58 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -87.29 145.4 26.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.5 p -137.32 119.03 15.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.68 148.79 36.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HB3' ' HE3' ' A' ' 86' ' ' MET . 25.8 mt-10 -73.84 66.52 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.0 -106.24 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.367 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.5 pt? -56.66 -27.4 58.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.658 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.655 HG22 ' CD1' ' A' ' 29' ' ' LEU . 46.6 t -63.37 -42.29 95.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.664 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.86 79.18 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.028 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -55.56 -38.4 69.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.649 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 35' ' ' ILE . 5.1 tp -67.28 -38.44 85.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.389 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.4 ' HE3' ' HB3' ' A' ' 79' ' ' GLU . 27.9 mtt -57.39 -40.42 78.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -68.69 -36.71 78.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.982 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 84' ' ' ALA . 58.6 t -62.23 -30.42 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 68.2 mmm -79.19 -31.64 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -68.9 -32.45 72.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -34.32 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.1 tpt85 -77.28 -36.26 54.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.717 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -52.91 46.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -86.38 -47.07 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.793 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 59.86 112.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.152 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -111.77 -25.49 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -69.87 63.81 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.0 t -84.42 -25.34 29.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.16 -26.54 63.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.94 -69.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -95.92 -77.1 0.49 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.964 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 56.54 85.85 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.57 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -106.35 148.05 28.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.44 -176.01 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -71.86 -41.25 68.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -51.52 123.05 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.551 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 0.968 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.857 0.361 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.45 -67.59 0.49 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.93 121.34 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -140.71 90.08 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 8.1 p80 -54.35 115.87 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.6 m -148.9 129.14 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.184 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.0 t -81.79 -27.67 33.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.417 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER 71.69 88.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.186 179.775 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.701 HG13 ' H10' ' A' ' 108' ' ' WSK . 89.1 t -158.65 149.1 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.556 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.93 -31.7 22.87 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.88 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.58 ' H ' HG12 ' A' ' 9' ' ' VAL . 2.3 t90 -86.79 148.08 25.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.68 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -146.16 152.83 47.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.81 63.0 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.656 2.237 . . . . 0.0 112.308 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.61 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -58.53 -50.21 74.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.96 -93.8 1.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 3.4 m-85 -119.49 115.7 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.972 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.52 68.26 10.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 22' ' ' LEU . 30.6 m -55.96 -30.13 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.1 p30 -59.88 -42.04 92.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.032 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -120.99 36.18 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -66.24 125.84 26.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.775 179.67 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.59 138.53 60.94 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.886 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.24 -56.83 2.39 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.504 2.136 . . . . 0.0 112.296 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.53 -51.74 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -68.3 -26.94 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.693 179.571 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -55.72 -43.32 76.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.797 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 m -75.42 -26.94 58.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' CD1' ' HG ' ' A' ' 81' ' ' LEU . 4.4 tp -67.02 -17.58 64.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.192 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.787 ' HD1' HD12 ' A' ' 35' ' ' ILE . 9.8 m-85 -101.41 -60.23 1.56 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.885 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -50.06 -29.7 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -77.7 -31.51 52.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.192 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.96 -23.07 41.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.225 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.94 52.42 0.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.582 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.787 HD12 ' HD1' ' A' ' 30' ' ' PHE . 21.1 mt -128.23 137.48 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.775 ' O ' HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -125.29 166.08 17.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.682 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -45.29 -39.13 6.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.335 -179.602 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.65 -33.53 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.4 -56.75 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 35' ' ' ILE . 0.4 OUTLIER -59.32 -47.08 86.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.633 -179.189 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 37' ' ' GLU . 66.7 p -50.13 -27.06 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.991 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -80.89 122.48 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.1 94.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.89 -38.34 90.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.585 HG22 HD11 ' A' ' 49' ' ' ILE . 88.7 m -72.2 -29.75 64.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.4 m -62.4 -57.96 9.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.73 -48.98 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.634 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.4 tm? -54.22 -35.18 62.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 45' ' ' THR . 21.0 mt -88.36 -22.09 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.494 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.722 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -58.9 -20.42 51.34 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.691 -179.246 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -18.28 32.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.504 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' HE1' ' HB3' ' A' ' 84' ' ' ALA . 91.3 t80 -86.0 -61.58 1.72 Allowed 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.535 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 59' ' ' LEU . 1.1 mt -64.64 -17.95 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.632 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.676 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 7.4 tm-20 -83.45 -41.32 18.19 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.931 0.396 . . . . 0.0 110.77 178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -77.86 -34.64 51.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.128 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -55.85 -20.6 16.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.21 -19.36 13.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.339 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.949 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 141.37 137.48 3.41 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.246 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.996 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -56.28 -55.48 32.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.736 0.303 . . . . 0.0 111.329 -179.243 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.915 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.53 -31.49 69.73 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.5 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -64.78 -25.49 67.94 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.441 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 58' ' ' GLY . 88.4 t -83.89 -36.22 11.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.178 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -46.43 -27.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 60' ' ' GLU . 2.9 mp0 -62.07 -42.69 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.93 -48.53 13.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.73 -25.65 11.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -59.97 -39.96 87.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -173.62 78.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -72.95 179.36 3.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 138.73 150.45 5.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.43 -127.34 1.03 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.4 m -138.26 170.43 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.44 -37.89 2.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.588 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.39 57.79 0.66 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.545 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 m -121.16 47.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -60.49 105.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m 63.73 94.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 p -166.17 141.51 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.35 82.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.89 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.85 -87.36 0.68 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 81' ' ' LEU . 15.8 tp -51.72 -25.75 7.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.73 0.3 . . . . 0.0 110.979 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.441 HG22 HD12 ' A' ' 29' ' ' LEU . 61.4 t -85.96 -42.37 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -50.03 -42.01 38.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.461 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -52.95 -40.12 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 85' ' ' LEU . 2.5 tp -66.93 -41.73 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.3 mtt -52.72 -27.21 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.405 ' O ' ' HG3' ' A' ' 90' ' ' GLN . 29.3 m170 -78.5 -21.26 49.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.075 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.0 t -89.22 -20.5 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.408 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.413 ' CE ' HD11 ' A' ' 49' ' ' ILE . 1.8 mmt -81.27 -26.17 35.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -70.01 -31.03 68.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -56.87 -29.18 62.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.992 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -81.18 -53.22 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.599 ' O ' HD11 ' A' ' 96' ' ' ILE . 2.9 p -60.26 -24.31 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.4 -27.42 15.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 91' ' ' LYS . . . -48.87 -90.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.757 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.599 HD11 ' O ' ' A' ' 93' ' ' SER . 4.4 mp 56.69 94.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.712 -178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -47.87 108.37 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.1 t -85.01 -24.64 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 m -60.95 -52.24 65.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 t70 71.16 -62.64 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -99.79 168.56 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.09 -65.27 1.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -99.95 94.98 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -76.86 112.28 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.041 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.4 159.77 31.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.71 144.31 42.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.042 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.508 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 0.996 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.837 0.351 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.16 138.55 18.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.576 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -97.23 137.79 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.83 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -151.54 99.17 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -88.61 109.97 20.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.79 101.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.208 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.8 -47.91 70.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 74.71 120.39 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.986 HG23 ' H10' ' A' ' 108' ' ' WSK . 3.4 p -119.02 152.53 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.829 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.23 -40.08 7.1 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.993 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.43 ' CD1' ' HA2' ' A' ' 16' ' ' GLY . 6.4 t90 -69.77 146.86 51.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.119 0.485 . . . . 0.0 110.416 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -120.37 160.72 42.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.769 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.94 -0.15 9.11 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.843 2.362 . . . . 0.0 112.967 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -113.38 -84.38 0.59 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.706 0.289 . . . . 0.0 111.138 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -49.4 -64.52 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.976 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' HA2' ' CD1' ' A' ' 11' ' ' TRP . . . 112.14 -97.83 0.94 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.694 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.542 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 11.6 m-85 -93.83 132.51 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.272 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -91.81 51.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.142 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.796 HG21 ' HG3' ' A' ' 37' ' ' GLU . 7.2 p -44.82 -27.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.814 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.06 -54.62 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.56 42.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -68.42 127.25 32.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.14 136.46 80.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -51.58 -51.62 10.78 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.414 2.076 . . . . 0.0 112.17 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.08 -53.09 37.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.76 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -67.03 -39.87 87.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.68 179.544 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -57.55 -32.12 66.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -79.52 -27.32 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.393 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.811 HD23 ' O ' ' A' ' 29' ' ' LEU . 3.5 tt -64.12 -29.03 70.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.704 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.748 ' HD1' HD12 ' A' ' 35' ' ' ILE . 17.9 m-85 -82.95 -55.84 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.836 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.22 -25.88 4.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.96 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.891 ' HB3' HG11 ' A' ' 82' ' ' VAL . 2.4 mtt85 -84.84 -43.68 13.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.984 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.88 -22.64 65.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.282 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.0 40.36 2.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.563 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.748 HD12 ' HD1' ' A' ' 30' ' ' PHE . 24.9 mt -119.64 147.74 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.7 p -120.27 -177.14 3.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.191 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.796 ' HG3' HG21 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -58.53 -39.06 79.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.03 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.75 -49.69 47.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -36.86 83.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 36.6 mt -74.33 -45.44 47.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 p -63.45 -44.84 93.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.117 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.09 104.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.005 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.44 -32.25 57.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -59.26 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -61.31 -31.03 70.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 50' ' ' TYR . 67.7 m -51.11 -58.97 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.588 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -56.49 -36.22 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.201 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.4 tm? -66.62 -33.68 76.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.274 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.9 mt -87.82 -22.85 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.04 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.71 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -65.17 -21.54 66.79 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.699 -178.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 32.8 t70 -59.78 -17.79 38.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 175.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 62.4 t80 -89.32 -61.34 1.72 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.784 HG21 ' HB2' ' A' ' 59' ' ' LEU . 5.6 mt -64.08 -18.24 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.148 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.709 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 1.5 tm-20 -80.21 -50.33 10.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.879 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -60.37 -44.12 95.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.833 -178.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.48 -20.05 11.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.355 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.446 ' O ' ' H19' ' A' ' 108' ' ' WSK . . . 115.45 -26.55 9.0 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.967 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.923 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 156.08 147.93 4.89 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.654 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.988 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -60.14 -54.93 40.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.885 0.374 . . . . 0.0 110.704 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.919 ' N ' HD23 ' A' ' 59' ' ' LEU . 3.2 pt-20 -69.85 -32.71 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.522 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -62.24 -27.74 69.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.932 176.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 58' ' ' GLY . 54.3 t -77.23 -40.36 29.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.522 177.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -52.15 -30.04 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.159 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -68.25 -30.4 69.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.631 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.88 -53.36 5.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.012 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -44.5 58.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ttt85 -62.95 -24.95 68.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -148.66 63.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.002 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -73.77 140.63 46.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.23 -82.04 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.563 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.41 -128.97 1.82 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.508 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.07 149.66 39.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.68 69.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.548 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.3 -175.58 6.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.53 66.52 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -100.34 79.01 2.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.018 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -172.84 111.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.1 p -72.66 -162.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -73.79 65.61 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.37 -70.86 1.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.431 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 tp -55.87 -40.96 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 110.783 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.891 HG11 ' HB3' ' A' ' 32' ' ' ARG . 58.8 t -74.44 -34.29 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.991 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.5 -30.62 71.02 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.342 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -58.74 -24.74 62.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 111.048 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.661 HD22 HD11 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -83.74 -44.66 14.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.811 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.8 mtt -52.1 -24.94 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -85.05 -31.66 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.053 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 84' ' ' ALA . 22.1 t -73.31 -25.59 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.258 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 76.9 mmm -82.03 -24.94 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -70.07 -38.43 75.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -52.8 -45.94 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.13 -47.53 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 t -50.39 -55.98 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.212 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -75.69 -54.16 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.061 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.46 101.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.262 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.9 mm -75.08 -31.7 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -129.4 115.89 18.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -36.42 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.009 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -60.35 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 t0 69.19 -66.58 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -174.04 102.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.73 143.28 6.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.424 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.43 97.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -117.25 139.66 50.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -130.18 159.44 36.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.14 97.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.325 -1.264 . . . . 0.0 112.491 -179.867 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 0.988 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.813 0.34 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.68 -31.06 70.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.45 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.59 135.22 46.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -147.48 92.91 2.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -62.44 108.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.12 137.17 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.47 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 15.0 t -76.9 -32.56 57.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.473 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 40.9 p-80 45.68 55.39 6.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.694 HG23 ' H10' ' A' ' 108' ' ' WSK . 7.9 p -108.22 151.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.568 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.1 -28.7 9.05 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.732 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.57 ' H ' HG22 ' A' ' 9' ' ' VAL . 4.2 t90 -82.44 141.17 32.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.948 0.404 . . . . 0.0 110.912 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -143.8 137.89 14.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.747 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 52.3 Cg_exo -55.25 84.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.575 2.183 . . . . 0.0 112.373 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -176.32 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -103.59 -55.44 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.28 -98.7 1.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.33 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.575 ' HE2' HD11 ' A' ' 53' ' ' ILE . 21.1 m-85 -103.97 175.7 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.857 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -139.34 33.78 2.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.666 HG21 ' HG3' ' A' ' 37' ' ' GLU . 14.7 p -39.91 -30.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.958 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -66.92 -49.32 65.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.949 0.404 . . . . 0.0 110.734 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.61 32.71 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.358 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD11 ' HB3' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -103.92 139.19 39.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.511 -179.201 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.745 ' N ' HD12 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -51.42 167.81 0.29 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.527 -178.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -79.56 -38.25 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.797 2.331 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -51.26 55.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.697 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.848 ' HB3' HD11 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -69.53 -25.93 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.72 179.278 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -56.81 6.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.794 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 m -60.02 -32.45 70.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.958 HD12 HG22 ' A' ' 82' ' ' VAL . 10.9 tp -56.71 -22.89 38.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.895 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' HD1' HD12 ' A' ' 35' ' ' ILE . 31.4 m-85 -94.89 -55.61 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -24.95 3.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -83.36 -24.86 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.08 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.458 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -85.77 -23.22 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.196 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.22 33.72 2.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.603 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.729 HD12 HD21 ' A' ' 85' ' ' LEU . 61.6 mt -122.78 135.02 64.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -103.42 178.76 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.666 ' HG3' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -61.0 -39.19 88.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.18 -46.35 45.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -34.81 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 48.4 mt -72.33 -23.51 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.7 p -99.68 40.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.91 134.73 49.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.929 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.17 -36.07 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -79.38 -31.99 43.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -86.09 -24.86 26.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -59.32 -57.89 11.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.031 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -55.84 -27.3 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.6 tm? -74.59 -34.38 62.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.651 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.7 mt -88.39 -25.72 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.828 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.717 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -56.12 -20.85 19.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.751 -178.433 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.86 -17.83 39.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.717 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 60.9 t80 -85.65 -61.36 1.78 Allowed 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.453 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' A' ' 59' ' ' LEU . 1.6 mt -64.37 -17.5 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.584 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.706 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 0.9 OUTLIER -83.35 -47.94 10.93 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.829 0.347 . . . . 0.0 111.02 179.03 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -38.33 80.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.344 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -55.92 -20.26 15.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.227 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.87 -26.89 8.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.298 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.924 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 154.36 141.69 3.3 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.59 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.992 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -56.43 -55.19 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.882 0.372 . . . . 0.0 111.069 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.927 ' N ' HD23 ' A' ' 59' ' ' LEU . 9.7 pt-20 -70.28 -33.7 71.89 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.495 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -62.39 -22.44 66.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.621 177.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 58' ' ' GLY . 62.8 t -83.43 -47.93 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.671 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -46.95 -27.19 1.19 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.86 -30.39 67.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -84.04 -50.89 7.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.419 ' CE ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.46 -28.25 12.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.005 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -75.17 -36.92 61.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -57.2 -57.26 13.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -133.34 172.0 13.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.965 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.47 -101.49 0.16 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -158.2 -179.41 33.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 t -173.71 73.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -167.94 -61.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.538 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.18 -161.88 12.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 p -144.77 45.1 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.368 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -124.14 -83.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.118 0.485 . . . . 0.0 111.066 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -119.09 145.01 46.28 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.013 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -105.49 -23.74 12.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 78' ' ' SER . 0.6 OUTLIER 67.37 179.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.004 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.45 -102.23 1.83 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.444 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.8 tp -58.29 -41.76 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 110.806 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.958 HG22 HD12 ' A' ' 29' ' ' LEU . 21.2 t -79.96 -30.37 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.004 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.43 -39.63 84.14 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.63 85.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.729 HD21 HD12 ' A' ' 35' ' ' ILE . 2.8 tp -56.85 -42.7 80.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.8 mtt -52.04 -32.01 32.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -75.87 -20.91 57.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 31.2 t -86.71 -20.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.617 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.58 -37.67 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.787 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -52.12 -35.64 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -67.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.071 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -44.73 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.97 -31.44 3.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.317 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.41 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 48.35 80.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.266 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.8 mm -111.49 -43.62 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.029 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 97' ' ' HIS . 19.7 p80 -149.9 55.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -25.96 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 p -55.18 -35.08 64.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -114.78 67.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -128.1 -174.96 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.8 31.47 39.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -112.14 -74.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.988 0.423 . . . . 0.0 111.014 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -111.37 46.16 1.13 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -117.07 152.59 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.45 112.97 14.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.524 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 0.992 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.63 161.4 22.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -74.37 143.25 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 133.33 51.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -99.19 102.1 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 6' ' ' VAL . 26.2 m -83.86 123.52 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.1 m -71.8 -35.15 69.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.035 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.1 78.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.179 0.514 . . . . 0.0 110.922 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.545 ' HB ' ' H10' ' A' ' 108' ' ' WSK . 3.1 p -63.37 157.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -93.84 -42.11 4.21 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.237 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.425 ' N ' HG22 ' A' ' 9' ' ' VAL . 21.8 t90 -64.48 130.39 43.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.007 0.432 . . . . 0.0 110.419 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -115.59 128.19 26.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.018 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 24.5 Cg_exo -62.63 72.32 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.445 2.096 . . . . 0.0 112.123 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER 177.04 -61.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.59 -48.93 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.736 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.8 -124.8 6.65 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.59 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.542 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 1.7 m-85 -92.02 141.06 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.036 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -91.88 51.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.473 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 22' ' ' LEU . 7.8 p -54.65 -29.72 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.459 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -57.27 -44.94 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.004 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.49 43.37 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -71.4 139.1 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD1' ' HD2' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -67.27 131.52 93.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.732 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD2' ' OD1' ' A' ' 23' ' ' ASP . 71.0 Cg_exo -50.65 -42.84 48.57 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.422 2.081 . . . . 0.0 112.386 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -58.59 6.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.769 ' O ' HD13 ' A' ' 26' ' ' LEU . 3.2 tm? -58.91 -36.67 75.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.731 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -54.69 -49.91 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.672 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -27.51 67.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.423 HD13 ' HE1' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -60.14 -24.81 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 179.619 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' HD1' HD12 ' A' ' 35' ' ' ILE . 13.4 m-85 -85.24 -63.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -50.27 -25.64 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.995 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.512 ' HB3' HG11 ' A' ' 82' ' ' VAL . 12.0 mtp180 -80.78 -31.44 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.2 -23.15 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.43 39.74 1.32 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.635 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.508 HD12 ' HD1' ' A' ' 30' ' ' PHE . 21.4 mt -127.59 155.01 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.44 ' N ' HG22 ' A' ' 35' ' ' ILE . 1.8 m -132.59 178.93 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.701 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.5 tt0 -55.76 -43.08 76.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.89 -33.29 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.97 -34.44 51.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.018 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.8 -33.68 60.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.979 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 37' ' ' GLU . 66.4 p -67.72 -25.89 65.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.65 114.92 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -47.42 85.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.74 -37.15 86.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.522 HG22 HD11 ' A' ' 49' ' ' ILE . 30.9 m -75.88 -24.97 55.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.043 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -67.67 -34.79 77.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -53.15 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.312 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 48' ' ' LEU . 1.9 pp -61.96 -26.18 68.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.339 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.522 HD11 HG22 ' A' ' 45' ' ' THR . 64.0 mt -88.05 -24.61 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.56 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.682 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -67.57 -23.86 65.45 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.448 -179.34 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 52' ' ' PHE . 52.5 p-10 -58.66 -19.17 36.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.782 0.325 . . . . 0.0 110.133 176.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 18.6 t80 -87.27 -61.11 1.8 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.377 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.437 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -64.9 -18.88 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.541 178.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.677 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 2.0 tt0 -84.21 -48.2 10.04 Favored 'General case' 0 CA--C 1.527 0.069 0 CA-C-O 120.865 0.364 . . . . 0.0 111.148 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -76.65 -37.94 55.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.858 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -55.65 -21.25 17.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.705 0.288 . . . . 0.0 111.209 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.42 -29.2 4.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.279 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.691 ' HA3' ' HB3' ' A' ' 61' ' ' ALA . . . 146.54 154.13 6.1 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.449 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.003 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.5 OUTLIER -62.06 -55.04 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.929 0.395 . . . . 0.0 110.933 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.632 ' N ' HD23 ' A' ' 59' ' ' LEU . 16.5 pt-20 -81.1 -33.53 33.24 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.691 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -58.3 -28.9 65.42 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.76 176.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 58' ' ' GLY . 2.9 t -81.42 -37.38 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.375 177.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.71 38.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.263 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -74.42 -27.65 60.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.513 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.31 -38.13 19.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.158 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -38.06 37.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.973 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -83.26 -27.67 29.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -41.19 98.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.858 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.85 137.58 20.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -168.99 -164.11 24.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.583 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -155.25 135.35 4.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.417 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.31 77.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.32 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.24 -52.44 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.31 -160.82 11.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.641 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -102.06 93.78 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.71 74.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.4 m -66.82 157.28 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.744 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 m -157.72 -172.16 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -7.39 40.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.592 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 81' ' ' LEU . . . -43.98 131.93 6.63 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.552 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' A' ' 80' ' ' GLY . 34.5 tp 78.76 -54.36 0.46 Allowed 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 122.697 0.399 . . . . 0.0 111.387 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 32' ' ' ARG . 61.6 t -69.5 -30.17 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 111.041 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.35 -36.9 70.3 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.989 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -51.32 -26.89 8.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.612 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.435 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -85.0 -38.05 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.667 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.1 mtt -55.85 -34.57 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.81 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -75.04 -26.17 59.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.984 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 84' ' ' ALA . 40.8 t -81.04 -21.03 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.424 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.3 mmt -79.84 -23.68 41.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -27.82 67.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -61.71 -48.96 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.61 -39.63 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 t -81.97 -26.67 33.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -19.92 54.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.488 ' C ' HD12 ' A' ' 96' ' ' ILE . . . -92.65 120.47 33.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.201 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.728 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.2 mp -120.3 19.77 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -69.98 101.56 1.81 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.845 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 t -72.02 -23.74 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -35.63 12.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.89 -70.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -64.96 82.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.978 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.25 -121.55 0.92 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.05 177.01 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -117.89 107.46 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.58 98.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.77 124.92 26.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.428 -179.759 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 1.003 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.751 0.31 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.6 -68.55 1.39 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.77 169.91 8.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -98.75 157.92 15.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.819 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.6 103.68 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 m -140.24 138.25 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.23 -41.56 60.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.678 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 61.58 40.19 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.179 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.898 HG13 ' H10' ' A' ' 108' ' ' WSK . 62.3 t -131.18 154.77 41.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.159 0.504 . . . . 0.0 111.416 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -84.98 -46.79 5.53 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.831 178.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -70.32 130.52 42.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.018 0.437 . . . . 0.0 110.467 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 25.6 p-10 -116.85 140.04 26.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.762 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 23.0 Cg_exo -63.95 67.96 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.552 2.168 . . . . 0.0 112.336 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -150.97 -74.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -97.28 -41.33 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.18 -91.68 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.54 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 48.9 m-85 -107.18 -178.81 3.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 111.038 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -137.59 67.48 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.611 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.563 HG11 ' HG3' ' A' ' 37' ' ' GLU . 30.9 m -46.43 -31.98 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.559 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -56.94 -26.85 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -144.07 32.57 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD12 HG12 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -61.57 136.46 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.034 -179.693 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.43 147.77 36.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.12 -38.45 4.94 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.692 2.261 . . . . 0.0 112.478 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -69.35 -38.65 78.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -75.52 -41.31 55.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -51.09 -29.96 14.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.944 0.402 . . . . 0.0 110.666 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -84.24 -35.13 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.606 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 29' ' ' LEU . 2.4 tt -53.23 -26.49 17.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.472 ' CE2' HD12 ' A' ' 26' ' ' LEU . 24.9 m-85 -84.41 -54.76 4.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.883 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -49.83 -25.04 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HB3' HG11 ' A' ' 82' ' ' VAL . 19.0 mtp180 -87.22 -30.27 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -86.45 -23.35 26.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.069 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.07 47.9 1.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.783 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.708 HD11 HD11 ' A' ' 85' ' ' LEU . 18.8 mt -127.75 149.17 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.714 0.293 . . . . 0.0 110.932 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -125.54 -168.4 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.239 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.771 ' O ' HG23 ' A' ' 41' ' ' THR . 0.6 OUTLIER -65.59 -44.72 85.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.159 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.65 -30.97 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.443 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -80.4 -40.69 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 18.9 mt -72.46 -42.3 65.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 37' ' ' GLU . 16.3 p -61.1 -34.18 74.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.092 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -65.96 125.77 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.047 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.49 64.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -73.53 -49.6 25.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 m -69.74 -28.76 66.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' TYR . 1.6 t -59.31 -59.13 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.437 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -31.89 54.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.081 0.467 . . . . 0.0 109.974 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.8 tm? -69.82 -34.11 73.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.165 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.9 mt -88.43 -20.49 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.114 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.741 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -67.99 -21.99 65.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.692 -178.659 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.33 -18.05 47.18 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 80.7 t80 -87.72 -60.83 1.86 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.491 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.586 HG21 ' CD1' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -66.04 -17.63 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.863 179.242 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.673 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 0.5 OUTLIER -80.78 -25.41 37.94 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.955 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.07 -44.02 20.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -57.9 -24.21 56.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' HA2' ' H19' ' A' ' 108' ' ' WSK . . . 115.06 -26.28 9.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.473 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.896 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 156.24 -170.63 33.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.79 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.02 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 2.8 mp -83.79 -54.43 4.91 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.908 0.385 . . . . 0.0 110.39 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -29.81 70.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 173.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HB3' ' N ' ' A' ' 58' ' ' GLY . . . -62.29 -31.89 72.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.833 176.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 58' ' ' GLY . 53.4 t -83.51 -44.76 18.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.329 178.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -50.66 -42.6 56.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -50.57 -42.48 55.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.786 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.02 -38.92 18.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.028 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -20.52 61.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.25 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -47.31 -55.93 7.8 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.857 0.36 . . . . 0.0 111.112 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 172.47 80.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -162.91 66.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -159.16 -66.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.84 -55.72 13.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.9 94.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.31 17.37 43.05 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.612 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 166.03 159.79 12.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.579 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.35 26.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -102.13 10.02 39.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.62 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.49 90.93 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.075 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.1 p -148.69 119.39 7.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.87 -51.31 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.76 -104.87 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.375 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -27.02 60.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 0.0 110.793 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.5 HG12 ' HE2' ' A' ' 86' ' ' MET . 61.7 t -58.46 -45.67 89.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.19 -40.41 67.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.417 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.47 -40.37 71.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 85' ' ' LEU . 3.8 tp -67.01 -30.1 70.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.681 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.5 ' HE2' HG12 ' A' ' 82' ' ' VAL . 22.1 mtt -65.15 -45.22 85.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.823 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.49 -45.99 90.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.42 -21.37 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.9 mmt -83.14 -25.67 31.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 0.0 110.793 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.92 -31.92 64.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -64.33 -28.58 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -49.95 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.983 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.512 ' O ' HD11 ' A' ' 96' ' ' ILE . 3.3 t -65.28 -30.28 71.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -72.67 -24.57 61.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.007 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.533 ' C ' HD12 ' A' ' 96' ' ' ILE . . . -101.25 111.65 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.22 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.721 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.5 mp -121.54 -57.53 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -95.37 92.87 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.764 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -84.99 -32.89 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.019 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.7 p -76.13 -54.47 6.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.74 25.28 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.71 -26.9 34.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.23 -98.09 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.423 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -122.49 29.78 6.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 61.8 102.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -139.87 -62.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.019 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.54 121.09 27.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.498 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 1.02 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.806 0.336 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.57 -119.85 1.5 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -138.75 131.51 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.38 110.2 10.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -100.58 110.28 22.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 m -119.67 75.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.039 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 14.2 t -67.09 -35.92 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.48 ' CG ' ' O ' ' A' ' 7' ' ' SER . 17.3 p-80 45.44 56.7 5.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.015 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.748 HG23 ' H10' ' A' ' 108' ' ' WSK . 7.3 p -113.3 146.84 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.202 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.416 ' HA3' 'BR1 ' ' A' ' 108' ' ' WSK . . . -80.94 -35.05 25.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.7 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.547 ' H ' HG22 ' A' ' 9' ' ' VAL . 5.1 t90 -84.13 142.57 30.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.779 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' GLN . 31.4 m-20 -144.81 151.79 50.48 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.829 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.55 68.91 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.559 2.172 . . . . 0.0 112.25 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.1 mt-30 -151.72 -83.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -84.42 -47.73 10.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.49 -91.53 1.06 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CE1' 'BR2 ' ' A' ' 108' ' ' WSK . 13.5 m-85 -108.51 178.92 4.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -179.62 69.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.971 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.545 ' HA ' HD23 ' A' ' 22' ' ' LEU . 20.5 m -43.75 -29.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.456 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.5 -51.07 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.821 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -104.79 21.9 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 19' ' ' VAL . 1.3 tp -105.03 134.7 47.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.9 146.55 27.57 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.36 -35.02 14.64 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.58 2.187 . . . . 0.0 112.021 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.6 -48.99 57.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.626 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.659 ' HG ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -74.71 -29.71 61.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 178.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -58.13 -46.15 86.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.452 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.6 m -69.74 -26.66 64.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.514 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.913 HD12 HG22 ' A' ' 82' ' ' VAL . 6.5 tp -70.11 -22.9 62.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.699 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.848 ' CZ ' HD11 ' A' ' 53' ' ' ILE . 6.6 m-85 -89.66 -63.77 1.24 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.02 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.5 m -48.39 -34.88 11.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.114 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HB3' HG11 ' A' ' 82' ' ' VAL . 31.0 mtp85 -67.69 -28.4 67.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.51 -23.02 43.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.19 34.65 2.48 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.557 HD12 HD21 ' A' ' 85' ' ' LEU . 50.7 mt -116.7 142.16 31.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 111.076 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.37 178.77 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -60.89 -38.02 84.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.91 -49.71 68.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.32 -27.04 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.5 mt -82.32 -43.98 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.084 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.9 p -64.11 -25.25 68.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.51 118.83 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.02 93.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -40.47 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 49' ' ' ILE . 57.8 m -86.18 -30.63 22.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 12.2 p -49.85 -59.62 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.266 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' ' OG ' ' A' ' 46' ' ' SER . 14.0 ptmt -64.9 -30.48 71.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.3 tm? -65.58 -34.35 78.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.508 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.616 ' CD1' HG22 ' A' ' 45' ' ' THR . 59.0 mt -88.39 -20.84 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.415 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.723 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -58.8 -20.69 52.48 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.819 -178.215 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -58.51 -17.87 24.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.606 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.428 ' HE1' ' HB3' ' A' ' 84' ' ' ALA . 67.9 t80 -86.4 -61.78 1.66 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.848 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 9.4 mt -64.31 -17.43 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.727 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -83.13 -30.23 28.06 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 178.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -79.55 -41.24 27.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.375 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.463 ' HB3' HG22 ' A' ' 62' ' ' VAL . 3.9 mp0 -55.26 -21.82 15.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.003 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.92 -21.94 13.08 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.288 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.948 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 154.44 136.42 2.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.002 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -54.67 -54.99 34.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.784 0.326 . . . . 0.0 111.036 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.925 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -70.41 -31.38 68.56 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.497 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -65.99 -19.94 66.03 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.745 177.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 58' ' ' GLY . 78.9 t -82.93 -32.59 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.698 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -47.58 -28.53 2.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -82.34 -30.67 30.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -74.62 -49.01 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -40.17 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -58.52 -40.31 82.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.25 -36.44 84.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -58.79 90.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.99 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 167.3 129.12 1.04 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 170.54 -115.66 0.6 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.596 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.33 173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.58 -78.32 1.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.539 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.27 -94.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -168.38 74.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.26 131.74 52.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.2 t -154.9 93.49 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' GLY . 87.0 p -124.74 131.23 53.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' HB2' ' HA3' ' A' ' 83' ' ' GLY . 1.4 pt-20 43.95 -91.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.423 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 78' ' ' SER . . . 47.47 96.44 0.01 OUTLIER Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.556 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' CB ' ' O ' ' A' ' 80' ' ' GLY . 14.1 tp 82.45 -52.39 0.21 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.481 0.313 . . . . 0.0 111.236 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.913 HG22 HD12 ' A' ' 29' ' ' LEU . 11.0 t -78.32 -22.45 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.342 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.421 ' HA3' ' HB2' ' A' ' 79' ' ' GLU . . . -63.3 -31.25 80.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.464 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -68.94 -48.92 62.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.98 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.604 HD21 ' HD1' ' A' ' 30' ' ' PHE . 6.8 tp -50.49 -47.41 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.5 mtt -51.65 -54.2 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.755 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -51.28 -24.69 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.04 -27.3 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.217 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.419 ' SD ' HD11 ' A' ' 35' ' ' ILE . 67.9 mmm -83.48 -35.61 24.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.561 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -63.12 -32.36 73.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.773 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -67.5 -50.6 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.769 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -65.07 -44.26 89.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.764 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m -53.52 -35.29 60.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.72 -29.34 64.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.22 125.39 13.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.048 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.5 mm -100.03 -71.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 79.33 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 t -82.69 -43.11 17.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -32.91 66.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.078 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.79 33.72 4.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -102.77 101.63 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -147.79 -61.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.393 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.17 82.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -85.73 89.2 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.2 158.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.018 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.11 124.79 15.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.345 -1.253 . . . . 0.0 112.533 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 1.002 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.79 125.34 0.91 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.611 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 3' ' ' PHE . 32.9 p90 -118.96 117.53 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.748 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -121.37 127.98 51.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.993 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -118.52 107.87 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.792 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 6' ' ' VAL . 24.7 m -139.65 128.19 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.176 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -65.75 -48.95 70.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.735 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.49 125.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.023 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.765 HG22 ' H10' ' A' ' 108' ' ' WSK . 94.6 t 66.9 158.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.52 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -88.86 -47.56 4.16 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.352 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 4.2 t90 -68.59 123.16 20.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.905 0.384 . . . . 0.0 110.215 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -104.38 126.51 31.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.989 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 37.0 Cg_exo -60.72 77.37 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.236 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER 174.69 -60.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.29 -48.57 17.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.55 -138.31 14.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.381 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.548 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 10.8 m-85 -69.86 173.18 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.49 64.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.145 0.498 . . . . 0.0 110.711 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 22' ' ' LEU . 30.3 m -66.83 -29.65 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -57.35 -33.25 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -136.31 38.84 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD12 HG12 ' A' ' 19' ' ' VAL . 1.6 mt -72.39 141.99 48.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.926 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.39 153.93 91.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.816 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.06 -38.15 7.51 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.549 2.166 . . . . 0.0 112.232 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.77 83.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.66 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.635 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.9 tm? -75.06 -45.31 42.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -52.28 -33.96 44.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -26.26 56.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.485 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 81' ' ' LEU . 2.2 tt -61.22 -25.83 67.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.796 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.607 ' HD1' HD12 ' A' ' 35' ' ' ILE . 40.5 m-85 -91.47 -47.25 7.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -52.41 -25.75 10.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.756 ' CB ' HG11 ' A' ' 82' ' ' VAL . 31.9 mtt85 -84.57 -40.66 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -72.46 -23.19 61.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.69 50.56 1.95 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.649 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.607 HD12 ' HD1' ' A' ' 30' ' ' PHE . 36.8 mt -126.8 147.08 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 111.092 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.63 -175.81 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.559 ' HA ' HD12 ' A' ' 40' ' ' LEU . 4.2 mt-10 -59.45 -40.63 87.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.24 -40.94 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.504 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.412 ' HB2' HG23 ' A' ' 35' ' ' ILE . 21.6 mt-30 -81.78 -23.18 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 37' ' ' GLU . 12.2 mt -86.46 -22.38 26.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.259 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 37' ' ' GLU . 64.8 p -81.28 -40.49 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -59.87 129.2 40.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.061 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.01 66.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -38.87 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.493 HG22 HD11 ' A' ' 49' ' ' ILE . 2.4 m -84.98 -41.33 15.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.0 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.0 m -50.57 -59.24 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.786 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -56.54 -40.94 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.015 0.435 . . . . 0.0 109.999 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.627 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.1 tm? -58.96 -33.37 70.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.281 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 45' ' ' THR . 47.2 mt -88.23 -24.01 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.14 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.755 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -63.36 -23.85 67.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.403 -178.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.9 -18.15 42.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 20.0 t80 -85.77 -60.99 1.86 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.526 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.643 HG21 ' CD1' ' A' ' 59' ' ' LEU . 8.9 mt -66.45 -17.63 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.672 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.687 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 0.1 OUTLIER -80.3 -32.82 37.99 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.788 0.328 . . . . 0.0 111.108 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.26 -38.89 63.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.667 ' HB3' HG22 ' A' ' 62' ' ' VAL . 90.6 mm-40 -59.73 -24.42 64.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' O ' ' H15' ' A' ' 108' ' ' WSK . . . 110.86 -25.58 14.27 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.39 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.889 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 159.69 -176.98 36.38 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.293 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.036 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 1.4 mp -80.14 -54.51 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.201 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.17 -31.41 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 173.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.592 ' HB3' ' N ' ' A' ' 58' ' ' GLY . . . -61.63 -31.59 71.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.178 176.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 58' ' ' GLY . 42.6 t -82.49 -43.66 19.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.091 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -51.22 -35.01 34.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.667 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -62.47 -43.47 98.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.837 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -84.44 -40.25 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -31.26 18.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.29 -43.87 11.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -57.58 -49.38 76.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 70' ' ' GLY . 2.3 tt0 -100.81 145.57 28.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.978 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.423 ' N ' ' HG2' ' A' ' 69' ' ' GLN . . . 96.05 129.42 5.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.401 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.29 73.64 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.0 m -169.55 35.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 146.11 65.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.16 -42.83 1.8 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.22 60.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -26.32 14.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.446 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.57 112.62 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.72 -28.3 69.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.06 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 82' ' ' VAL . 2.1 mt-10 -56.45 -46.96 80.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.096 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.53 -114.92 2.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.446 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.798 ' CD1' HD11 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -64.18 -25.27 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 110.848 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.756 HG11 ' CB ' ' A' ' 32' ' ' ARG . 53.9 t -57.03 -45.8 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.29 -26.33 36.16 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.246 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.56 -33.67 60.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.813 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.842 HD12 HG12 ' A' ' 88' ' ' VAL . 2.8 tp -62.99 -46.9 85.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.3 mtt -50.0 -24.8 2.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -77.5 -33.84 54.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.451 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.842 HG12 HD12 ' A' ' 85' ' ' LEU . 1.3 p -65.78 -27.34 41.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.879 0.371 . . . . 0.0 111.048 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 25.2 mmt -76.09 -39.51 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -57.37 -36.01 70.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -60.13 -43.42 95.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.681 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.35 -48.84 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.78 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -39.27 68.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -36.77 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.4 123.07 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.218 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.1 mp -91.96 -74.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 164.08 12.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.1 t -84.43 -40.64 17.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.6 m -62.56 -19.07 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.285 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.89 29.6 3.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.941 0.4 . . . . 0.0 110.744 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -45.67 151.33 0.43 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.438 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 160.93 -143.49 8.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.341 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.79 65.77 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.726 0.298 . . . . 0.0 110.927 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -138.04 -80.01 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.1 103.41 3.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.18 108.64 7.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.038 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.557 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 1.036 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.838 0.351 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.13 70.74 0.46 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -111.57 150.15 30.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -80.33 85.77 5.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 5' ' ' HIS . 16.5 p-80 -72.59 101.86 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.995 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 6' ' ' VAL . 34.2 m -141.39 102.37 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.201 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.2 t -51.53 -50.72 59.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.623 ' O ' HG12 ' A' ' 9' ' ' VAL . 1.8 t60 79.07 -67.11 0.17 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.984 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.119 HG23 ' H10' ' A' ' 108' ' ' WSK . 8.0 p 123.49 146.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 125.11 1.507 . . . . 0.0 110.603 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.13 -30.88 7.56 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.522 ' H ' HG22 ' A' ' 9' ' ' VAL . 22.2 t90 -75.43 112.95 12.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.917 0.389 . . . . 0.0 110.256 177.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -102.3 125.73 35.45 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.91 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.05 88.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.345 2.03 . . . . 0.0 112.135 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.91 -62.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -91.62 -48.43 6.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.069 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.69 -119.45 3.94 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.549 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 16.0 m-85 -81.18 154.38 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 110.995 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.6 66.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.587 HG12 HD12 ' A' ' 22' ' ' LEU . 6.5 m -59.77 -25.03 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.27 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -57.88 -48.65 79.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.714 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.15 30.99 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.587 HD12 HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -61.36 137.74 58.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.036 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.77 142.24 88.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.92 -59.71 0.95 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.576 2.184 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -49.57 -61.05 2.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -52.68 -36.58 57.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.772 179.74 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -30.86 70.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 110.492 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.95 -27.51 24.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.148 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.95 ' CD1' HG22 ' A' ' 82' ' ' VAL . 6.8 tp -58.58 -25.19 62.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.774 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.661 ' HD1' HD12 ' A' ' 35' ' ' ILE . 16.6 m-85 -82.76 -59.69 2.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.791 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -48.94 -29.23 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.045 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.487 ' HB3' HG11 ' A' ' 82' ' ' VAL . 11.4 mtp85 -81.8 -28.34 33.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.31 -23.44 21.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.88 40.26 1.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.897 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.661 HD12 ' HD1' ' A' ' 30' ' ' PHE . 23.2 mt -128.14 148.97 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 111.192 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.12 174.37 10.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' THR . 1.9 tt0 -51.82 -27.16 11.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.53 82.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.276 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -80.41 -29.77 37.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 37' ' ' GLU . 35.6 mt -69.96 -32.5 70.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.127 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 37' ' ' GLU . 24.7 p -67.46 -43.13 81.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.986 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.66 129.53 42.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -41.47 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.32 -34.59 78.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 6.4 m -78.19 -44.46 25.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 p -53.3 -34.69 58.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -62.53 -57.6 10.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 48' ' ' LEU . 1.1 pp -58.23 -30.04 66.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 110.772 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.417 HD11 ' CE ' ' A' ' 89' ' ' MET . 74.0 mt -80.04 -30.14 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.668 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -63.4 -23.34 67.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.587 -178.668 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -60.47 -17.79 47.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 47.7 t80 -87.59 -57.36 2.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.61 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.708 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.0 mt -71.43 -18.51 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.834 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.642 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 2.8 tm-20 -83.97 -22.16 31.52 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.718 0.294 . . . . 0.0 111.474 178.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -88.89 -46.55 8.83 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.465 ' OE1' ' CE1' ' A' ' 52' ' ' PHE . 5.8 mp0 -55.79 -19.69 12.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.405 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.26 -31.84 4.74 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.021 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.863 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 163.25 151.7 6.53 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.684 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.978 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -61.68 -55.14 33.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.863 0.363 . . . . 0.0 110.742 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.914 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -72.96 -31.23 64.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.447 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.542 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -63.19 -26.46 68.82 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.013 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 58' ' ' GLY . 23.6 t -79.07 -41.15 22.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.37 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -51.58 -33.73 33.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.321 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -67.73 -33.2 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.541 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -35.87 42.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.722 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -30.64 63.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -33.7 73.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -160.42 69.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.993 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 78' ' ' SER . 1.2 pt20 -56.49 -25.63 51.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 176.42 -158.59 25.02 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.533 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.99 -106.57 0.99 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.5 t -145.71 173.93 11.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.852 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.89 -26.34 6.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.486 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -143.03 -47.3 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.67 134.88 49.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -120.04 44.87 2.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.004 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.6 p -114.72 156.09 25.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.406 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -99.6 -31.81 11.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 82' ' ' VAL . 19.2 mt-10 -50.7 -60.57 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.29 -113.79 1.64 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.608 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.6 pt? -52.92 -28.25 22.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.739 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.95 HG22 ' CD1' ' A' ' 29' ' ' LEU . 61.1 t -55.35 -47.85 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.007 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.98 -42.07 98.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.302 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -51.65 -30.1 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -77.08 -36.68 55.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.803 179.633 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.3 mtt -55.61 -44.59 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -64.29 -35.47 80.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.622 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 84' ' ' ALA . 59.9 t -67.31 -37.27 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.891 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.417 ' CE ' HD11 ' A' ' 49' ' ' ILE . 3.4 mmt -71.22 -37.24 72.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.699 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -66.88 -29.24 69.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.643 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -44.03 84.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.748 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -83.87 -30.72 26.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.768 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -50.66 44.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.94 -63.18 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.011 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 55.74 107.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.006 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.714 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.3 mp -111.74 55.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.044 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -151.05 112.37 4.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.4 p -80.91 -37.13 30.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.3 t -83.42 -26.65 30.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 t0 69.75 -70.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -154.18 -55.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -54.76 167.25 2.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.529 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -120.28 -44.15 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -55.37 119.44 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -108.06 51.15 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.14 101.68 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.509 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 1.119 ' H10' HG23 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.869 0.366 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.18 -163.95 36.43 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -129.3 118.37 22.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.63 120.18 37.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -73.3 133.41 43.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -120.55 124.41 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.1 t -75.77 -19.21 59.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.279 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -59.62 85.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.915 0.388 . . . . 0.0 110.939 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.787 HG23 ' H10' ' A' ' 108' ' ' WSK . 9.6 p -176.39 157.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.005 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -114.62 -21.57 5.39 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.748 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.496 ' H ' HG22 ' A' ' 9' ' ' VAL . 57.0 t90 -68.32 100.93 1.12 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.178 0.513 . . . . 0.0 110.446 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -84.12 125.41 72.56 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.724 179.403 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.34 77.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.605 2.204 . . . . 0.0 112.343 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER 172.75 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.864 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.93 -52.3 37.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.769 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.96 -87.41 1.14 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.608 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 11.1 m-85 -116.77 159.19 22.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.24 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.63 46.36 2.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.685 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.46 HG21 ' HG3' ' A' ' 37' ' ' GLU . 15.0 p -48.05 -25.66 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.51 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -60.06 -29.49 68.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.172 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -149.51 33.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.015 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.21 140.47 52.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.09 137.92 80.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.38 -44.5 43.05 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.434 2.09 . . . . 0.0 112.181 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 3.0 m-20 -56.72 -57.86 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.773 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.677 HD23 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -61.18 -34.09 74.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 179.486 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -56.58 -46.36 80.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.0 p -70.19 -40.8 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.6 -24.03 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.785 ' HD1' HD12 ' A' ' 35' ' ' ILE . 27.5 m-85 -94.02 -51.61 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 t -53.36 -24.93 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.665 ' HB3' HG11 ' A' ' 82' ' ' VAL . 55.3 mtt-85 -77.29 -24.27 51.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.44 -23.11 20.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.139 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.28 63.44 0.94 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.569 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.785 HD12 ' HD1' ' A' ' 30' ' ' PHE . 22.4 mt -125.59 138.21 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 p -104.49 172.68 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.2 mt-10 -60.83 -31.71 71.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.6 -46.17 73.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -70.29 -37.26 74.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.019 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -68.9 -42.71 76.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 37' ' ' GLU . 61.5 p -74.11 -41.97 60.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.117 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.67 125.52 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.29 -26.9 61.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.02 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.91 -41.34 59.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -86.02 -24.76 26.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.007 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.5 p -50.01 -59.14 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.864 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -65.16 -37.82 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.695 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 tp -57.73 -31.34 66.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.45 HG12 ' CE ' ' A' ' 89' ' ' MET . 24.3 mt -88.33 -22.19 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.402 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.759 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -61.68 -20.26 63.25 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.793 -178.541 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.32 -17.9 23.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.641 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' HE1' ' HB3' ' A' ' 84' ' ' ALA . 88.0 t80 -86.98 -61.77 1.65 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.8 mt -61.74 -18.23 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.599 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.75 ' HB2' ' H2 ' ' A' ' 108' ' ' WSK . 2.8 tm-20 -83.65 -28.96 28.03 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.722 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -50.07 35.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.61 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.705 ' HB3' HG22 ' A' ' 62' ' ' VAL . 2.3 mp0 -55.46 -20.32 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.318 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.75 -26.31 8.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.208 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.919 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 163.05 142.3 3.36 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.654 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.988 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.1 OUTLIER -53.51 -55.3 26.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.731 0.301 . . . . 0.0 111.254 -179.607 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.893 ' N ' HD23 ' A' ' 59' ' ' LEU . 7.0 pt-20 -73.38 -35.79 65.96 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.522 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -58.23 -20.71 44.01 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.616 176.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 58' ' ' GLY . 55.4 t -83.43 -47.17 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 61.2 mtp180 -46.04 -39.38 9.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.274 -179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -52.47 -38.15 58.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -56.02 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.891 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -34.27 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.29 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -39.04 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -115.79 -40.32 3.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.072 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 70.61 -63.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 169.49 -118.49 0.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -143.82 21.61 2.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.569 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.9 122.08 33.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.57 -127.89 1.0 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.26 -114.91 5.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.3 t -127.48 28.36 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -123.12 27.65 7.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.046 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.56 112.67 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.698 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.73 -41.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.419 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.67 -157.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.187 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.467 ' O ' ' HG ' ' A' ' 81' ' ' LEU . . . 62.08 99.37 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.001 -1.095 . . . . 0.0 110.506 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.752 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER 69.84 -58.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 111.263 -176.783 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.665 HG11 ' HB3' ' A' ' 32' ' ' ARG . 5.2 t -55.58 -43.85 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.362 -175.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.44 -38.76 81.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.357 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.573 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -56.17 -38.8 71.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 30' ' ' PHE . 1.6 tt -71.45 -43.23 67.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.905 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.6 mtt -50.7 -29.35 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.749 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.41 ' HA ' ' HG2' ' A' ' 90' ' ' GLN . 0.3 OUTLIER -78.47 -24.12 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.823 179.418 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.76 -32.67 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.45 ' CE ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -81.35 -31.43 33.39 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.594 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 87' ' ' HIS . 12.3 pt20 -65.82 -24.65 66.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.654 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -63.33 -57.76 9.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -61.11 -29.84 70.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.681 ' O ' HD11 ' A' ' 96' ' ' ILE . 1.4 t -65.97 -27.44 68.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -94.26 -27.64 16.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.403 ' C ' HD12 ' A' ' 96' ' ' ILE . . . -101.94 93.94 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.707 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.6 mp -109.68 -41.94 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.041 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -97.38 110.47 23.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.2 t -66.83 -22.5 66.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -33.68 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.133 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -104.65 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.052 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.41 102.15 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.39 98.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.537 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -22.02 12.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 111.082 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -126.96 38.0 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -131.33 31.17 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.03 123.21 29.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.47 -1.184 . . . . 0.0 112.483 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 0.988 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.836 0.35 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.49 61.11 0.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.423 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.75 112.54 19.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.94 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.5 117.12 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.6 123.0 16.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.5 m -152.39 148.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.192 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -29.97 12.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.607 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 61.69 34.19 17.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.682 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.988 HG13 ' H10' ' A' ' 108' ' ' WSK . 47.5 t -139.6 146.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.016 0.436 . . . . 0.0 110.894 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.54 -29.36 8.32 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.861 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.539 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 14.5 t90 -86.19 125.33 33.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.959 0.409 . . . . 0.0 110.566 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -107.92 130.73 22.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.919 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.04 72.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.669 2.246 . . . . 0.0 112.464 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER 172.04 -64.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.94 -44.8 96.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.3 -123.58 6.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.552 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.537 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 9.2 m-85 -94.71 170.74 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.71 64.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.62 -33.86 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.082 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 19.3 p30 -54.84 -30.3 57.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 1.2 m-20 -138.51 37.16 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.705 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 22' ' ' LEU . 1.4 mt -69.0 142.47 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.475 ' HB2' HD21 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -57.06 138.91 79.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.44 -43.23 59.3 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.505 2.137 . . . . 0.0 112.525 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.39 -60.86 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.117 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.665 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.6 tm? -49.38 -38.22 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.08 -30.45 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.745 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -84.56 -33.76 23.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.471 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.83 HD23 ' O ' ' A' ' 29' ' ' LEU . 4.8 tt -55.89 -24.15 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.75 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HD11 ' A' ' 53' ' ' ILE . 9.0 m-85 -91.31 -62.68 1.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.3 t -49.61 -26.2 3.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB3' HG21 ' A' ' 82' ' ' VAL . 47.8 mtt-85 -82.52 -27.96 31.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.35 -19.16 34.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.289 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.42 39.12 2.87 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.538 HD12 HD21 ' A' ' 85' ' ' LEU . 43.2 mt -126.53 123.39 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.416 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 43.5 m -104.16 176.53 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 41' ' ' THR . 2.1 mt-10 -54.06 -26.43 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.78 -53.65 45.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.352 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' OE1' ' N ' ' A' ' 36' ' ' SER . 21.4 mp0 -73.84 -29.74 62.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.417 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.85 -27.31 55.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 37' ' ' GLU . 19.2 p -80.89 -25.42 37.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.4 104.21 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.98 -28.0 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.242 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -80.02 -56.56 4.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.099 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.1 m -63.54 -21.04 66.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.451 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -71.47 -43.07 67.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.0 111.378 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -52.07 -57.13 10.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.492 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.13 -24.47 40.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.183 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 85.8 mt -85.95 -26.95 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.456 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.688 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -66.39 -22.64 66.25 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.548 -179.418 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -59.81 -17.94 39.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 32.1 t80 -88.39 -61.21 1.76 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.635 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.557 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -64.87 -18.31 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.891 179.79 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.617 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 2.4 tt0 -83.7 -37.76 22.33 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.876 0.369 . . . . 0.0 111.168 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.92 -38.99 26.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.924 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -55.55 -20.28 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 111.402 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.77 -24.93 6.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.899 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.848 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 143.0 147.65 4.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.513 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.973 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.5 OUTLIER -58.82 -55.27 37.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.8 0.333 . . . . 0.0 111.271 -179.281 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.823 ' N ' HD23 ' A' ' 59' ' ' LEU . 13.1 pt-20 -75.25 -34.23 61.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -58.49 -28.05 65.02 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.983 176.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 58' ' ' GLY . 24.9 t -77.37 -41.27 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.524 177.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.2 ttt-85 -51.93 -37.39 52.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.245 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -67.62 -27.93 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.292 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.77 -52.83 5.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.723 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -26.52 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -51.74 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -68.26 -59.79 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.01 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 62.31 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -83.35 -63.33 1.72 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.09 -56.16 0.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.545 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 p -135.3 27.7 3.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.48 -96.8 0.34 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.558 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.24 85.3 1.03 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.5 p -151.93 77.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.96 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.18 133.46 55.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.94 126.35 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.48 139.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.015 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -28.27 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.7 -96.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.857 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.513 HD21 HG13 ' A' ' 62' ' ' VAL . 8.8 tp -47.01 -51.2 17.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.703 0.287 . . . . 0.0 111.304 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -76.5 -34.48 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.577 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.32 -23.8 66.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.697 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.63 -33.87 58.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.008 0.433 . . . . 0.0 110.546 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.861 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.4 tp -63.55 -36.99 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.523 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.0 mtt -53.44 -22.75 8.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.423 ' HA ' ' HG3' ' A' ' 90' ' ' GLN . 7.0 m170 -80.19 -45.82 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.399 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.838 HG12 HD12 ' A' ' 85' ' ' LEU . 1.2 p -52.28 -27.47 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.906 0.384 . . . . 0.0 111.049 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.6 mmt -75.09 -28.14 60.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.423 ' HG3' ' HA ' ' A' ' 87' ' ' HIS . 5.4 mm-40 -57.86 -34.25 69.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -66.15 -42.93 88.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -54.66 11.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.031 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -49.67 -56.11 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.062 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' HB3' HD11 ' A' ' 96' ' ' ILE . 19.1 mmt85 -85.89 -65.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.562 ' C ' HD12 ' A' ' 96' ' ' ILE . . . 58.46 109.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.033 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.717 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.6 mp -122.05 -70.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.168 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 31.8 p80 45.1 49.09 9.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.357 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 m -81.41 -50.39 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 t -61.6 -29.81 70.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.45 81.18 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.84 177.46 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.34 -100.64 0.3 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.628 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.93 -46.66 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 110.834 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.4 t0 66.45 176.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.65 -67.35 0.86 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.89 103.02 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.512 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 0.988 ' H10' HG13 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.869 0.366 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.01 -98.0 0.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -131.42 125.14 31.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.5 162.27 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.785 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.402 ' HB3' HG11 ' A' ' 9' ' ' VAL . 48.1 m-70 -131.83 93.86 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.398 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.888 HG22 ' CD2' ' A' ' 8' ' ' HIS . 6.0 m -76.28 -160.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.424 -178.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -68.42 -6.04 22.5 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.888 ' CD2' HG22 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -72.82 -2.45 20.61 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.548 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.019 HG23 ' H10' ' A' ' 108' ' ' WSK . 7.6 p -135.59 152.19 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.965 0.412 . . . . 0.0 110.896 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.75 -33.63 6.04 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.767 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -82.04 146.09 29.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.979 0.418 . . . . 0.0 110.415 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.33 144.34 47.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.5 59.03 2.54 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.826 2.35 . . . . 0.0 112.697 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.31 -73.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -68.52 -50.83 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.28 -130.84 9.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.63 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 2.7 m-85 -83.59 149.45 26.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.561 ' C ' HD13 ' A' ' 22' ' ' LEU . 14.6 t0 -102.97 38.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.823 HG23 HD22 ' A' ' 22' ' ' LEU . 7.8 p -45.13 -29.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.569 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -54.63 -43.47 72.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.186 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -118.18 27.58 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.265 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.823 HD22 HG23 ' A' ' 19' ' ' VAL . 1.1 tp -52.77 133.34 37.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.001 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.93 142.27 56.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.28 -56.78 2.23 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.548 2.165 . . . . 0.0 112.154 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' OD1' ' NE ' ' A' ' 63' ' ' ARG . 2.2 m-20 -60.9 -40.79 94.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -64.29 -44.87 90.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -26.74 14.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.557 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.42 -28.76 23.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.342 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.738 ' CD1' HG22 ' A' ' 82' ' ' VAL . 11.0 tp -58.2 -24.8 60.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.795 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CE2' HD12 ' A' ' 26' ' ' LEU . 30.7 m-85 -84.13 -56.84 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.748 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -24.99 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.769 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.846 ' HB3' HG11 ' A' ' 82' ' ' VAL . 83.0 mtt180 -86.96 -24.36 24.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.51 -23.16 19.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.76 29.29 5.03 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.929 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.651 HD12 HD21 ' A' ' 85' ' ' LEU . 24.4 mt -116.04 138.67 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.965 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.91 174.59 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 41' ' ' THR . 3.2 tt0 -50.71 -38.33 46.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.799 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.76 -54.77 20.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.79 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.526 ' HB2' HG23 ' A' ' 35' ' ' ILE . 9.8 mp0 -64.02 -26.43 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.635 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.439 HD13 HD21 ' A' ' 22' ' ' LEU . 21.7 mt -76.67 -46.7 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.136 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 37' ' ' GLU . 23.5 p -68.44 -24.13 64.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.352 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.77 110.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.073 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.06 -35.66 73.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.19 -54.15 14.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -64.34 -30.18 71.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.704 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 p -51.13 -58.46 6.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.682 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -59.38 -31.7 69.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.291 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.0 tm? -69.83 -31.72 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.507 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -88.13 -20.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.183 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.643 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -65.64 -22.07 66.62 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.713 -178.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.3 -19.91 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 74.0 t80 -89.61 -61.37 1.71 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.692 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.572 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -65.37 -19.47 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.956 -179.468 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.663 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 1.9 tt0 -84.84 -22.02 29.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.694 0.283 . . . . 0.0 111.293 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 -46.39 8.51 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 7.7 mp0 -55.27 -19.97 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.622 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.8 -30.85 4.74 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.026 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.854 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 158.22 150.39 5.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.848 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.963 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -60.16 -55.3 35.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.875 0.369 . . . . 0.0 110.96 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.894 ' N ' HD23 ' A' ' 59' ' ' LEU . 6.9 pt-20 -73.52 -33.1 64.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 176.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.543 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -59.82 -28.32 67.37 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.868 176.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 58' ' ' GLY . 42.2 t -80.34 -40.01 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.496 176.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' NE ' ' OD1' ' A' ' 25' ' ' ASP . 52.7 ttt-85 -51.89 -30.65 24.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.22 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.11 -38.92 84.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.75 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.89 -35.13 22.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -34.24 74.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.886 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -31.62 72.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -86.46 -67.1 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 53.08 66.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.61 140.53 7.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.6 -131.33 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -131.64 38.78 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.04 34.26 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.564 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.28 -143.4 14.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.548 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 69.87 49.21 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -63.37 115.55 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.47 134.27 14.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.1 -58.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -99.55 34.52 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.33 -102.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.376 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.5 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.6 pt? -61.01 -30.77 70.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.772 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.846 HG11 ' HB3' ' A' ' 32' ' ' ARG . 48.6 t -62.67 -45.41 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.42 -39.74 74.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.301 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -52.54 -39.09 61.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 110.803 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 35' ' ' ILE . 9.8 tp -70.16 -33.78 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.58 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.456 ' HE2' ' O ' ' A' ' 32' ' ' ARG . 28.4 mtt -59.49 -40.35 86.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.758 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -64.33 -51.02 65.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.701 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.9 t -55.53 -25.61 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.7 mmt -79.17 -28.86 42.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -72.74 -33.36 66.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.65 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -30.61 64.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.83 -50.22 8.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.728 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.1 t -56.93 -39.45 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ILE . 8.7 mmt180 -95.02 -57.52 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.023 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 61.63 -82.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.191 0.52 . . . . 0.0 111.085 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 94' ' ' ARG . 9.8 mm 56.84 68.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.159 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 96' ' ' ILE . 2.1 m-70 67.91 142.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.7 t -75.22 -36.78 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 101' ' ' GLU . 4.6 t -62.68 -35.28 79.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.2 t0 67.17 -69.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 176.91 124.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.34 28.35 17.48 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.557 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -137.76 117.97 13.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.755 0.312 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -171.87 91.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 62.03 118.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.22 136.48 42.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.01 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.442 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 1.019 ' H10' HG23 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.15 48.99 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -64.04 101.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.006 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -68.19 160.23 29.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.55 ' O ' HG13 ' A' ' 6' ' ' VAL . 61.4 m170 -107.12 95.05 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.577 ' O ' ' CE1' ' A' ' 8' ' ' HIS . 1.1 m -160.21 95.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.808 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -29.12 42.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.577 ' CE1' ' O ' ' A' ' 6' ' ' VAL . 2.3 m80 73.12 -63.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.293 0.568 . . . . 0.0 110.739 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.773 HG22 ' H10' ' A' ' 108' ' ' WSK . 58.0 t -90.51 158.56 2.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.478 178.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.483 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -105.81 -33.73 3.46 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -65.54 101.29 0.58 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.172 0.51 . . . . 0.0 109.948 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 14' ' ' GLN . 38.2 p-10 -80.33 120.52 79.71 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.911 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.22 78.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.436 2.091 . . . . 0.0 112.165 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER 176.32 -66.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -77.56 -50.74 11.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.0 -102.56 1.09 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' CE2' HD22 ' A' ' 40' ' ' LEU . 30.4 m-85 -97.88 178.19 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.71 78.19 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.788 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.63 HG11 ' HG3' ' A' ' 37' ' ' GLU . 30.3 m -61.67 -26.21 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -56.72 -36.81 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.1 29.95 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -61.73 147.46 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.21 134.94 42.37 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.15 -52.67 7.33 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.531 2.154 . . . . 0.0 112.366 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.43 -50.2 32.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.752 ' HG ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.34 -34.95 61.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 5.7 mtp85 -54.6 -30.12 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.39 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -86.08 -22.17 27.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.936 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.619 HD11 HD12 ' A' ' 81' ' ' LEU . 1.7 tt -69.99 -26.64 64.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 35' ' ' ILE . 7.4 m-85 -78.7 -58.74 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.69 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -51.9 -25.74 8.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.641 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -80.71 -44.0 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.06 -23.43 59.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.16 44.49 1.37 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.949 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.582 HD11 HD22 ' A' ' 85' ' ' LEU . 20.2 mt -128.15 150.78 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -132.65 -177.12 4.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.102 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.63 ' HG3' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -57.06 -46.6 82.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.019 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.12 -28.88 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -84.83 -32.06 23.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.583 HD22 ' CE2' ' A' ' 17' ' ' PHE . 24.4 mt -79.93 -41.85 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.079 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.8 p -59.65 -32.83 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.54 120.99 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.0 -25.38 60.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.9 -40.74 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.972 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.748 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.8 m -76.36 -33.7 58.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -54.85 -45.7 74.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.61 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -55.22 -21.46 14.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.597 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 45' ' ' THR . 2.8 mm? -84.67 -35.06 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.413 0.625 . . . . 0.0 110.153 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.5 mt -84.15 -21.39 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.111 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.644 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -74.61 -21.23 59.57 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.599 -179.746 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.17 -17.76 54.65 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.429 ' CG ' ' HG ' ' A' ' 85' ' ' LEU . 57.5 t80 -89.11 -61.31 1.73 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.525 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -65.7 -18.81 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.925 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.721 ' HG2' ' H11' ' A' ' 108' ' ' WSK . 6.2 tm-20 -84.08 -38.56 20.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.722 0.296 . . . . 0.0 111.228 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -86.05 -35.81 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.735 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -55.71 -20.1 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.475 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.01 -27.89 4.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.673 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 143.74 154.09 6.04 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.388 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.016 HD12 'BR2 ' ' A' ' 108' ' ' WSK . 0.4 OUTLIER -65.59 -55.61 16.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.75 0.309 . . . . 0.0 111.677 -179.595 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' N ' HD13 ' A' ' 59' ' ' LEU . 7.6 pt-20 -76.54 -30.33 57.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.638 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -64.34 -27.16 68.83 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.237 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 58' ' ' GLY . 2.3 t -73.7 -40.82 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -52.43 -28.88 21.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.062 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -69.57 -30.0 67.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.605 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -84.95 -55.84 3.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mtt -47.61 -35.01 8.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -71.24 -36.39 71.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -104.81 23.82 12.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -58.55 131.68 51.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.935 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.53 151.88 45.47 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.559 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.13 66.88 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.69 27.96 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.31 22.51 5.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.81 -79.27 0.38 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -135.02 28.59 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.771 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 63.18 157.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 p -51.29 123.21 9.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.3 m -147.57 171.9 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.02 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG2' ' CE ' ' A' ' 86' ' ' MET . 4.6 mt-10 -62.08 -24.36 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.934 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.64 -95.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.22 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.619 HD12 HD11 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -95.69 -28.72 14.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.0 110.699 179.243 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.464 ' HA ' HD21 ' A' ' 29' ' ' LEU . 39.2 t -56.16 -27.71 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 79' ' ' GLU . . . -72.19 -34.78 61.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.343 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.98 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.582 HD22 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -71.15 -48.06 54.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.417 ' CE ' ' HG2' ' A' ' 79' ' ' GLU . 9.7 mtt -55.63 -28.1 53.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -79.89 -29.9 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.706 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 84' ' ' ALA . 62.0 t -72.51 -37.93 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 74.2 mmm -70.87 -36.37 72.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -55.43 -26.45 42.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.794 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -60.6 -64.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -43.61 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 p -48.26 -53.47 17.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -86.22 -58.71 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 50.03 77.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.061 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.5 mm -76.69 -40.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -86.92 62.44 7.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.1 t -80.78 -30.67 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.3 p -52.29 -38.16 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -77.45 -28.17 52.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -100.46 73.69 1.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.52 146.09 5.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.42 145.09 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -108.67 93.04 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -137.61 -49.53 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -98.25 115.97 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.987 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.483 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 1.016 'BR2 ' HD12 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.56 28.82 23.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.43 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -89.9 151.58 21.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 108.98 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -100.52 114.15 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 6' ' ' VAL . 33.8 m -132.26 120.67 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.014 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -58.46 -54.38 47.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.01 112.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.778 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.064 HG23 ' H10' ' A' ' 108' ' ' WSK . 5.4 p -135.21 -117.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.487 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.6 ' N ' HG22 ' A' ' 9' ' ' VAL . . . 162.34 -29.9 0.28 Allowed Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 119.239 0.927 . . . . 0.0 111.235 -178.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.529 ' H ' HG22 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.8 151.39 23.4 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.916 0.388 . . . . 0.0 110.104 178.3 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.24 131.01 24.57 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.616 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.63 -22.24 16.6 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.366 2.044 . . . . 0.0 112.318 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.09 -81.53 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -51.0 -49.03 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.7 -102.69 2.89 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 62.7 m-85 -96.56 151.42 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.07 76.89 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.67 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -61.15 -26.11 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.382 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -63.83 -30.0 71.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.729 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -140.12 44.48 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.854 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD11 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -66.28 146.34 54.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -69.71 119.21 69.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.767 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.77 -23.63 11.81 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.385 2.057 . . . . 0.0 112.55 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -61.23 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -63.76 -26.53 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.172 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -33.86 60.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.388 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.68 -31.06 46.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.534 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.4 tt -59.77 -24.12 63.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.753 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 23.0 m-85 -85.3 -59.27 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.81 -24.07 21.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HB3' HG11 ' A' ' 82' ' ' VAL . 1.7 mtt85 -88.85 -36.29 16.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.85 -23.15 42.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.07 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.89 40.89 1.78 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.63 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.731 HD12 HD21 ' A' ' 85' ' ' LEU . 28.6 mt -125.1 142.81 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.6 -177.2 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.049 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 41' ' ' THR . 1.3 tt0 -54.01 -42.58 69.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.035 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.86 -44.69 59.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.137 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.537 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -72.94 -23.09 60.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.73 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.455 HD13 HD11 ' A' ' 22' ' ' LEU . 56.0 mt -88.36 -27.43 21.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.084 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 37' ' ' GLU . 63.2 p -83.55 -44.22 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.42 131.81 33.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.43 -52.89 9.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.049 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -31.69 56.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 6.9 m -88.27 -45.51 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.223 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.4 p -46.73 -43.14 17.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 111.51 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -59.1 -57.3 13.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.514 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -55.77 -27.92 53.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 110.769 -179.41 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.3 mt -80.26 -20.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.739 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -71.95 -30.22 65.08 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.438 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -54.73 -21.2 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.142 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 68.9 t80 -82.67 -61.33 1.91 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.326 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.5 mt -64.35 -18.26 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.696 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.707 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 1.1 tt0 -83.85 -36.52 23.38 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 111.185 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -86.27 -36.18 19.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.654 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -55.6 -19.92 11.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.37 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.72 -20.22 7.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.221 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.831 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 136.67 148.35 5.48 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.118 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.993 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.4 OUTLIER -65.34 -55.51 17.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.816 0.341 . . . . 0.0 110.745 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.897 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.8 pt-20 -66.96 -33.28 75.24 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.476 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -63.86 -27.72 69.36 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.93 176.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 58' ' ' GLY . 23.0 t -83.45 -40.4 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.568 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -52.15 -33.17 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.454 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.35 -30.12 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.622 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -84.82 -51.02 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.952 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -38.54 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -54.5 -36.03 63.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.025 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -148.77 63.91 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -83.0 -33.46 26.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.989 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.75 -68.62 0.32 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.391 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.411 ' HA3' ' HB2' ' A' ' 76' ' ' GLN . . . -70.74 131.71 21.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.485 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.72 114.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 139.77 -83.48 0.23 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.388 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.57 29.27 12.6 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.44 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.75 60.63 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.105 0.479 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.411 ' HB2' ' HA3' ' A' ' 71' ' ' GLY . 47.5 mm-40 -49.48 158.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.977 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.45 97.21 10.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -117.44 -61.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 57.35 39.12 28.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.42 37.6 3.74 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD21 HG13 ' A' ' 62' ' ' VAL . 46.9 tp 175.41 -34.83 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 0.0 110.446 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.491 HG11 ' HB3' ' A' ' 32' ' ' ARG . 36.9 t -80.43 -38.29 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.732 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.63 74.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.236 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -57.45 -34.75 69.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 110.754 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 85' ' ' LEU . 2.6 tp -78.04 -30.31 49.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.578 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.4 mtt -61.99 -39.45 92.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.498 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -67.99 -43.0 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.709 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 84' ' ' ALA . 21.6 t -64.8 -24.01 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.038 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.4 mmt -81.36 -24.51 37.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.705 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -73.81 -32.87 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.683 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -50.08 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' HG2' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.22 -50.39 71.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.793 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 p -56.16 -49.6 73.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -24.47 67.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.51 ' C ' HD12 ' A' ' 96' ' ' ILE . . . -95.78 111.76 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.691 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.8 mp -119.16 -65.65 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -90.4 166.02 13.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.0 m -83.92 -32.96 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.4 p -60.83 -21.11 62.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.196 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.43 -68.69 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.873 0.368 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -136.1 -57.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.03 -64.36 0.33 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.579 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 50.61 63.82 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 110.834 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -95.11 28.09 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.003 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.31 -178.62 6.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.22 153.67 45.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.333 -1.259 . . . . 0.0 112.497 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 1.064 ' H10' HG23 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.912 0.387 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.66 -60.01 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.536 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -52.72 159.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -143.52 89.13 2.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -64.73 127.24 30.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -150.59 -179.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.054 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.471 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 30.2 t -73.26 -46.42 50.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.011 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.477 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 12.5 p-80 44.64 30.04 0.48 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.319 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.807 HG23 ' H10' ' A' ' 108' ' ' WSK . 7.5 p 51.06 156.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 124.338 1.024 . . . . 0.0 112.426 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.515 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -101.2 -38.3 3.35 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.949 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 1.6 t90 -70.95 129.73 39.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.053 0.454 . . . . 0.0 110.515 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 18.3 m-20 -106.33 130.53 22.82 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.504 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 53.0 Cg_exo -54.81 149.81 39.76 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.337 2.025 . . . . 0.0 112.261 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 69.72 7.81 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.933 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -123.9 -60.25 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.23 -131.89 10.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.412 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 46.2 m-85 -98.01 145.39 26.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.884 0.373 . . . . 0.0 111.062 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.654 ' C ' HD13 ' A' ' 22' ' ' LEU . 4.7 t70 -103.23 58.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.21 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.811 ' N ' HD13 ' A' ' 22' ' ' LEU . 28.8 m -39.89 -31.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.119 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -54.52 -39.51 67.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.97 0.414 . . . . 0.0 110.41 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -122.85 26.02 8.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.39 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -53.11 153.15 3.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 -179.513 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.6 118.35 71.47 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -45.18 -29.16 3.99 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.588 2.192 . . . . 0.0 112.671 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' HB2' ' CD ' ' A' ' 63' ' ' ARG . 1.9 t0 -71.82 -61.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.976 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD13 ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -63.78 -28.47 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.074 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -33.69 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.432 . . . . 0.0 110.231 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.4 m -86.15 -30.35 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.29 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.752 HD11 HD11 ' A' ' 81' ' ' LEU . 10.1 tt -55.51 -29.79 59.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.465 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' HD1' HD12 ' A' ' 35' ' ' ILE . 18.0 m-85 -84.13 -48.35 9.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.743 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -57.43 -24.72 57.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.761 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.533 ' HB3' HG11 ' A' ' 82' ' ' VAL . 1.8 mtp85 -87.14 -25.17 24.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -92.68 14.41 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.6 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.85 38.69 89.48 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.878 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.632 HD12 HD21 ' A' ' 85' ' ' LEU . 19.6 mt -125.95 147.96 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.976 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.81 179.2 5.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.633 ' HG3' HG11 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -51.7 -40.81 60.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.82 -53.42 25.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.41 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -62.23 -30.58 71.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.408 HD21 ' CE1' ' A' ' 30' ' ' PHE . 82.2 mt -78.88 -41.35 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.2 p -66.77 -33.98 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.06 115.22 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -29.85 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -80.44 -50.09 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.427 HG22 HD11 ' A' ' 49' ' ' ILE . 2.7 m -67.46 -37.73 83.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -46.37 -59.36 3.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -38.56 82.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.239 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.627 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.9 tm? -61.1 -28.7 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.491 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.427 HD11 HG22 ' A' ' 45' ' ' THR . 56.4 mt -88.49 -25.63 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.732 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.663 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -64.81 -21.19 66.73 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.632 -178.86 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -61.58 -17.37 54.76 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 27.7 t80 -88.63 -60.39 1.97 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.744 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.73 HG21 ' HB2' ' A' ' 59' ' ' LEU . 3.0 mt -67.58 -17.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.869 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.679 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 2.3 tm-20 -83.16 -33.03 26.33 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.49 -28.18 20.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.323 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -63.59 -12.8 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.642 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.35 -21.94 23.36 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.996 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.945 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 142.66 148.68 5.01 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.322 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.993 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -65.82 -54.61 24.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.757 0.313 . . . . 0.0 110.837 -179.381 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.918 ' N ' HD23 ' A' ' 59' ' ' LEU . 1.5 pt-20 -65.16 -31.48 72.68 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 175.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -66.49 -27.41 67.76 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.986 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 58' ' ' GLY . 42.5 t -76.06 -37.22 33.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.401 177.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.448 ' CD ' ' HB2' ' A' ' 25' ' ' ASP . 20.4 mtm180 -53.0 -34.15 55.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.798 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.96 -24.12 66.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.533 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 66' ' ' MET . 7.5 tm-20 -84.76 -54.84 4.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.672 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.404 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 40.7 mtp -49.67 -31.59 11.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -59.85 -32.65 70.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.61 83.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.971 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -63.94 -25.41 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.92 -92.67 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.575 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.38 95.82 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.9 p -119.02 56.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.76 -101.29 0.29 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.75 -55.35 31.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.615 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m 67.32 64.8 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -163.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 p -51.24 152.74 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 60.8 -83.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.85 -115.53 3.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.425 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.752 HD11 HD11 ' A' ' 29' ' ' LEU . 2.1 pt? -79.16 -27.51 42.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.963 0.411 . . . . 0.0 110.769 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.533 HG11 ' HB3' ' A' ' 32' ' ' ARG . 39.7 t -50.24 -50.07 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.981 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.96 -28.9 54.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.295 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.48 -30.04 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.903 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.85 HD12 HG12 ' A' ' 88' ' ' VAL . 1.1 tp -68.88 -44.9 72.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 14.0 mtt -51.09 -24.1 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -75.73 -39.73 56.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.85 HG12 HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -63.18 -27.96 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 110.864 -179.429 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.441 ' SD ' HG13 ' A' ' 88' ' ' VAL . 46.9 mmm -80.35 -35.56 35.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -57.31 -27.09 61.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.423 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -67.24 -49.41 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.683 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -82.19 -23.49 35.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t -48.12 -34.59 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.21 -66.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 48.85 28.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.164 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.6 mm -83.85 -39.86 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -118.86 99.91 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.018 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.0 m -85.24 -28.48 25.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.84 -25.83 32.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -116.93 67.35 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.51 82.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.07 36.92 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.407 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -150.98 173.32 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -133.26 118.19 18.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -84.2 -67.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.58 153.63 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.502 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 0.993 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.895 0.379 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.89 -86.33 0.15 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.348 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -120.87 87.03 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.02 168.86 18.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -116.72 107.34 14.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 8' ' ' HIS . 3.6 m -142.04 154.88 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -56.57 -21.82 29.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' HB2' HG23 ' A' ' 6' ' ' VAL . 2.0 m170 -46.58 106.06 0.08 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.0 0.429 . . . . 0.0 111.425 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.836 HG13 ' H10' ' A' ' 108' ' ' WSK . 24.5 t 57.21 159.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.456 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -111.36 -31.77 2.73 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -65.78 104.76 1.12 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.18 0.514 . . . . 0.0 110.173 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.7 116.47 66.5 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -51.54 153.62 10.31 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.306 2.004 . . . . 0.0 112.329 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.17 0.96 3.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.771 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -128.62 -62.44 1.02 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.855 0.359 . . . . 0.0 110.738 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.39 -137.52 14.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.474 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 55.4 m-85 -77.55 176.21 9.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.47 55.61 0.86 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.87 HG12 HD13 ' A' ' 22' ' ' LEU . 22.0 m -47.56 -30.11 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.43 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -27.67 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.502 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -137.74 10.57 2.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.422 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -68.97 153.43 43.82 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.05 0.452 . . . . 0.0 111.418 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.45 144.93 87.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -72.46 -37.45 4.25 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.657 2.238 . . . . 0.0 112.22 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.91 -47.16 86.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.883 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.9 tm? -71.69 -30.91 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HG3' HD21 ' A' ' 22' ' ' LEU . 1.5 ttt180 -58.1 -37.66 74.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -32.34 65.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 29' ' ' LEU . 2.8 tt -53.88 -25.05 18.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.793 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CD1' HD12 ' A' ' 35' ' ' ILE . 26.9 m-85 -87.93 -54.69 4.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -51.38 -25.57 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.518 ' CB ' HG11 ' A' ' 82' ' ' VAL . 72.8 mtt180 -86.38 -38.79 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.58 -23.18 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.29 -20.0 10.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.674 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.712 HD11 HD22 ' A' ' 85' ' ' LEU . 22.0 mt -67.7 138.22 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 111.185 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.1 p -123.44 178.05 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.13 -35.84 27.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.21 75.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.604 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -77.39 -22.58 51.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD22 ' CE2' ' A' ' 17' ' ' PHE . 19.8 mt -88.08 -31.8 19.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.111 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 p -72.66 -35.31 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -71.98 113.11 8.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.68 96.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.995 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.63 -37.25 67.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.553 HG22 HD11 ' A' ' 49' ' ' ILE . 4.9 m -81.25 -37.69 28.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.003 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -54.95 -39.13 68.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.02 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -51.83 67.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.344 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 45' ' ' THR . 1.0 OUTLIER -66.22 -22.82 66.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.692 0.282 . . . . 0.0 111.013 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.553 HD11 HG22 ' A' ' 45' ' ' THR . 64.2 mt -88.15 -31.19 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.591 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.696 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -64.71 -20.96 66.63 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.08 -178.113 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.16 -17.68 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 85.1 t80 -85.93 -61.13 1.82 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.477 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.517 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -66.33 -18.45 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.772 179.185 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.619 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -83.61 -31.56 26.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 178.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -43.21 18.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.91 -178.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -55.5 -20.21 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.688 0.28 . . . . 0.0 111.318 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.82 -28.78 5.58 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.869 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.892 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 152.97 152.62 6.05 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.586 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.943 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -64.06 -55.11 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 0.0 110.947 -179.145 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.894 ' N ' HD23 ' A' ' 59' ' ' LEU . 7.4 pt-20 -72.56 -29.09 63.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.511 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -66.85 -27.32 67.44 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.006 176.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 58' ' ' GLY . 11.0 t -71.12 -39.42 73.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.307 177.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -51.24 -31.5 21.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.812 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -72.0 -31.59 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.399 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.99 -47.7 9.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.994 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -33.69 15.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -39.51 86.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 1.3 mtm-85 -83.87 -44.02 14.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 68' ' ' ARG . 12.7 pt20 46.78 -170.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.33 -149.74 19.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.477 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.52 42.92 0.93 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.595 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -104.56 88.11 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -113.18 -51.13 0.52 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.26 -80.7 0.26 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.474 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.0 m -146.86 41.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.37 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -128.98 152.94 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 t -148.36 157.32 43.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.018 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.98 -173.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 51.53 24.24 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.77 -76.9 1.22 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.392 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.45 -35.67 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.627 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.518 HG11 ' CB ' ' A' ' 32' ' ' ARG . 46.6 t -76.17 -43.22 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.27 -26.48 63.95 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.266 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.87 -33.11 74.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.975 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.712 HD22 HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -74.35 -26.29 60.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.737 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.97 -39.09 90.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -68.62 -40.47 80.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.5 t -68.25 -20.82 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -28.5 55.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 0.0 110.525 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -58.69 -26.44 63.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.621 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -52.67 -40.73 63.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -75.63 -44.7 41.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 m -52.01 -53.67 39.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -59.75 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 58.07 111.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.692 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.7 mp -110.74 -65.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -93.84 90.37 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -32.31 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.0 t -68.69 -24.0 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.01 37.4 2.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -76.96 65.17 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.81 172.09 37.9 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.89 -81.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -100.43 -173.14 2.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -111.01 59.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.005 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.88 116.06 6.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.32 -1.266 . . . . 0.0 112.475 -179.898 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 0.943 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.728 0.299 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.71 59.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.413 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -75.44 115.02 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -118.57 171.84 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -114.04 107.47 15.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 6' ' ' VAL . 34.2 m -129.03 106.74 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.3 m -50.96 -41.5 59.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 179.47 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.229 0.538 . . . . 0.0 111.259 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.032 HG13 ' H10' ' A' ' 108' ' ' WSK . 45.5 t -72.81 148.48 9.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.064 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.7 -32.52 8.01 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.745 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.436 ' H ' HG12 ' A' ' 9' ' ' VAL . 6.6 t90 -79.15 136.05 37.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.98 0.419 . . . . 0.0 110.385 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -121.64 135.18 24.94 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.911 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 22.8 Cg_exo -63.3 71.22 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.378 2.052 . . . . 0.0 112.06 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -174.05 -76.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.953 -179.599 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.8 -49.06 67.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.4 -118.35 4.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.572 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 4.6 m-85 -88.19 158.21 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.953 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.541 ' C ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -109.4 39.8 2.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.423 179.015 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.75 HG23 HD22 ' A' ' 22' ' ' LEU . 11.7 p -45.55 -29.75 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.405 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -54.84 -48.13 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.011 0.434 . . . . 0.0 110.072 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -112.85 27.54 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.228 178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 19' ' ' VAL . 1.5 tp -52.83 136.82 33.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.077 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.58 142.14 85.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.7 -48.56 21.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.481 2.12 . . . . 0.0 112.206 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' CB ' ' HG3' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -58.09 -57.69 11.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.023 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.717 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -62.35 -27.77 69.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 3.9 mtp180 -64.68 -31.99 73.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.4 p -80.98 -31.94 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.465 HD11 ' HG ' ' A' ' 81' ' ' LEU . 5.4 tp -58.03 -23.1 52.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.781 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CE2' HD12 ' A' ' 26' ' ' LEU . 21.2 m-85 -84.76 -63.85 1.26 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.6 p -50.11 -25.7 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.733 ' CB ' HG21 ' A' ' 82' ' ' VAL . 61.3 mtt180 -84.59 -26.64 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.848 ' HB2' HG23 ' A' ' 82' ' ' VAL . . . -90.78 -22.54 20.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.6 -22.65 9.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.76 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.802 HD11 HD11 ' A' ' 85' ' ' LEU . 29.3 mt -66.2 152.15 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.162 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.6 -179.68 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.733 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -55.91 -34.92 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.31 69.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.446 ' CB ' HG23 ' A' ' 35' ' ' ILE . 5.8 mp0 -76.54 -35.35 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.996 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.526 HD13 HD21 ' A' ' 22' ' ' LEU . 21.5 mt -71.99 -45.45 60.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 37' ' ' GLU . 81.3 p -59.92 -32.15 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.13 99.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.813 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.69 -27.84 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.293 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.424 ' O ' HD13 ' A' ' 48' ' ' LEU . 48.7 mt-10 -77.96 -60.37 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.822 ' HA ' HD22 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -53.46 -25.7 17.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -55.94 -39.06 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.265 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -27.0 61.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.143 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.822 HD22 ' HA ' ' A' ' 45' ' ' THR . 2.8 mp -70.25 -40.24 74.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.511 0.672 . . . . 0.0 109.384 177.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.5 mt -88.78 -21.08 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.1 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.66 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -64.29 -24.8 67.79 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.104 -0.639 . . . . 0.0 110.468 -178.465 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.51 -19.71 39.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 87.7 t80 -89.39 -57.66 2.8 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.793 -179.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.713 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.8 mt -71.02 -18.87 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.687 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 1.6 tm-20 -83.79 -36.13 23.79 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.832 0.348 . . . . 0.0 110.828 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -89.43 -34.77 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.203 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -55.98 -19.67 13.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.315 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.92 -23.96 7.22 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.058 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.849 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 141.21 149.44 5.24 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.283 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.964 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 0.4 OUTLIER -62.54 -55.47 27.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.418 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.863 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.7 pt-20 -74.17 -32.47 63.1 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.561 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -61.75 -26.35 68.02 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.997 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 58' ' ' GLY . 5.2 t -73.6 -40.46 54.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 25' ' ' ASP . 7.4 mtp180 -53.25 -30.63 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.975 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.34 -36.67 74.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.736 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.2 -45.41 12.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.52 ' HG2' HD23 ' A' ' 81' ' ' LEU . 2.6 mmm -51.19 -29.78 15.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.805 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -46.81 75.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -36.11 82.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 58.48 -173.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.991 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.62 138.52 14.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.445 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -158.5 -77.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.562 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.6 t -53.35 119.51 4.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.02 -88.0 0.49 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.571 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.41 119.03 0.84 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.433 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.0 p -100.06 71.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.62 107.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.89 146.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 p -66.87 -47.99 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.422 ' HB2' ' HE3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -72.69 90.29 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 -179.624 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -103.17 -79.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.962 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.531 HD21 HG13 ' A' ' 62' ' ' VAL . 4.3 tp -53.59 -41.85 67.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 110.096 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.848 HG23 ' HB2' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -80.17 -39.21 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.075 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.445 ' HA2' ' CE ' ' A' ' 86' ' ' MET . . . -55.63 -25.69 43.85 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.323 -0.941 . . . . 0.0 111.298 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.66 -32.87 60.34 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.017 0.437 . . . . 0.0 110.443 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.802 HD11 HD11 ' A' ' 35' ' ' ILE . 1.8 tp -64.36 -34.85 79.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.18 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.445 ' CE ' ' HA2' ' A' ' 83' ' ' GLY . 48.8 mtt -52.04 -39.79 60.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.483 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -59.52 -61.44 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.724 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.18 -25.39 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.166 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 mmt -80.19 -33.83 37.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.815 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 94' ' ' ARG . 6.3 mm100 -62.92 -28.96 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -47.65 84.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -72.66 -54.96 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 p -50.26 -31.51 14.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.44 ' C ' HD12 ' A' ' 96' ' ' ILE . 6.6 tpt180 -84.54 -10.25 57.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.77 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.9 -9.41 46.33 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.706 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.5 mp 43.66 63.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 111.373 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 54.07 104.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.0 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 83.5 p -66.22 -29.57 69.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.985 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -44.97 78.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.4 t70 57.24 31.03 19.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.42 -57.36 8.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.42 -65.13 3.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.416 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -158.62 149.56 20.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -78.64 116.41 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.85 88.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.8 104.82 12.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.589 -179.835 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 1.032 ' H10' HG13 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.833 0.349 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.54 -96.62 0.41 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -72.98 116.82 13.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.91 147.53 40.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -56.89 143.84 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 m -131.03 147.94 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.8 m -83.23 -6.4 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.883 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -87.45 8.8 23.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.521 0.2 . . . . 0.0 111.517 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.837 HG23 ' H10' ' A' ' 108' ' ' WSK . 7.1 p 178.87 159.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.128 0.49 . . . . 0.0 111.548 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.525 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -104.21 -43.36 1.76 Allowed Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CE2' ' O ' ' A' ' 13' ' ' PRO . 48.8 t90 -71.16 115.93 10.88 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 173.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -157.34 78.97 3.59 Favored Pre-proline 0 N--CA 1.466 0.362 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -174.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' O ' ' CE2' ' A' ' 11' ' ' TRP . 70.9 Cg_endo -107.05 -88.86 0.0 OUTLIER 'Cis proline' 0 N--CA 1.44 -1.674 0 C-N-CA 125.698 -0.542 . . . . 0.0 110.835 -7.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.86 -7.09 31.37 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.63 -31.04 1.03 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.342 0.591 . . . . 0.0 109.928 178.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.22 162.63 14.41 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.822 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 50.5 m-85 -52.59 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.925 -0.637 . . . . 0.0 111.188 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.74 47.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.276 178.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.406 HG11 ' HG3' ' A' ' 37' ' ' GLU . 27.2 m -40.81 -38.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.834 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -54.79 -32.57 60.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.66 29.23 5.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.84 126.45 27.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.992 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 1.5 t0 -67.17 143.45 97.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 52.1 Cg_exo -54.9 -49.19 17.5 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.5 2.133 . . . . 0.0 112.288 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' CB ' ' CG ' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -51.05 -61.35 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.952 -179.757 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.591 ' O ' HD13 ' A' ' 26' ' ' LEU . 1.7 tm? -57.26 -43.57 83.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.617 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -27.75 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -86.17 -26.58 25.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.568 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.908 HD12 HG22 ' A' ' 82' ' ' VAL . 8.5 tp -65.35 -22.95 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.755 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.74 ' CD1' HD12 ' A' ' 35' ' ' ILE . 8.3 m-85 -86.16 -59.65 2.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.839 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.61 -31.46 16.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.7 ' HB3' HG11 ' A' ' 82' ' ' VAL . 67.9 mtt-85 -75.05 -24.49 58.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.43 -23.28 16.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.235 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.85 46.21 1.52 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.763 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.74 HD12 ' CD1' ' A' ' 30' ' ' PHE . 17.0 mt -125.67 155.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.941 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 35' ' ' ILE . 18.0 p -135.53 -178.66 5.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.275 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.631 ' O ' HG23 ' A' ' 41' ' ' THR . 1.5 tt0 -55.82 -46.17 78.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.051 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.54 -42.79 34.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.442 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -67.61 -32.29 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.542 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.529 HD22 ' CD2' ' A' ' 17' ' ' PHE . 17.0 mt -82.53 -24.88 33.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.054 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 37' ' ' GLU . 70.9 p -79.39 -36.32 39.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.962 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.57 137.85 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -41.34 22.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.358 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -38.83 75.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.062 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.574 ' HA ' HD23 ' A' ' 48' ' ' LEU . 24.8 m -73.24 -45.78 53.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.071 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 m -48.52 -26.61 2.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.225 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -56.45 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.078 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 45' ' ' THR . 1.6 pp -59.44 -32.08 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 45' ' ' THR . 48.3 mt -74.75 -37.04 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.61 ' HA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -63.54 -20.61 65.77 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.228 -177.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -59.59 -19.81 51.44 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.627 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CG ' ' OE1' ' A' ' 56' ' ' GLN . 12.3 t80 -89.87 -61.2 1.74 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.073 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -67.71 -19.48 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.053 -178.879 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.674 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 1.1 tm-20 -84.47 -28.8 26.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 111.041 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -90.06 -45.86 8.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.837 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 3.3 mp0 -55.19 -20.87 11.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 0.0 111.315 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.13 -32.62 2.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.208 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.796 ' HA3' ' HB3' ' A' ' 61' ' ' ALA . . . 150.77 160.5 9.41 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.833 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.911 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 0.8 OUTLIER -63.94 -55.19 24.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.965 0.412 . . . . 0.0 110.643 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.648 ' N ' HD23 ' A' ' 59' ' ' LEU . 25.3 pt-20 -82.08 -34.29 29.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.796 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -57.91 -26.88 62.76 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.014 176.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 58' ' ' GLY . 1.7 t -72.07 -41.07 67.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CG ' ' CB ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -52.92 -34.99 57.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.097 178.467 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -65.65 -33.3 75.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.365 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -39.45 18.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.744 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -34.36 40.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -69.75 -37.9 76.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.749 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -117.8 47.57 1.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -49.57 -34.67 18.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.16 87.88 1.89 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.53 109.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.48 40.17 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.787 0.327 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.58 46.68 0.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.53 121.15 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.493 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 p -171.89 101.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.3 . . . . 0.0 111.015 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.35 52.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -174.8 157.71 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -62.07 -85.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.031 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.32 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.225 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.72 -81.78 0.33 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.696 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.612 HD12 HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -89.83 -16.84 29.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.598 0.237 . . . . 0.0 111.301 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.908 HG22 HD12 ' A' ' 29' ' ' LEU . 45.2 t -56.95 -37.2 53.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.808 0.337 . . . . 0.0 110.994 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.11 -33.31 78.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.668 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.73 -35.26 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.183 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -70.7 -44.63 66.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.742 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.6 mtt -45.39 -56.29 5.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.23 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -51.31 -61.49 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.39 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.0 t -47.32 -26.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.818 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.8 mmm -82.43 -23.72 34.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.719 0.295 . . . . 0.0 111.044 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -67.65 -24.79 65.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.838 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -31.77 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -74.8 -42.02 58.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -24.25 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -26.67 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.979 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.78 153.97 9.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.237 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.658 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.1 mp -113.21 -51.34 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.3 m80 55.31 69.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -80.09 -25.64 39.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.4 p -60.36 -49.83 76.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.86 25.26 11.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.71 85.68 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.85 -154.36 3.24 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.455 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.79 -43.05 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 111.007 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 55.27 43.32 29.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -81.79 146.24 30.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.4 133.46 21.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.027 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.463 -1.187 . . . . 0.0 112.53 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 108' ' ' WSK . . . . . 0.911 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.483 HG22 ' H ' ' A' ' 11' ' ' TRP . 6.2 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.088 0.47 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -96.92 -31.64 6.88 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.571 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.483 ' H ' HG22 ' A' ' 9' ' ' VAL . 3.7 t90 -87.85 151.45 22.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 0.0 110.613 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -149.98 147.94 23.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.0 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.93 68.39 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.648 2.232 . . . . 0.0 112.295 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -159.69 -70.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.983 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -77.73 -70.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.76 -115.08 2.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -102.95 129.69 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -95.52 67.54 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 20' ' ' ASN . 25.9 m -55.82 -41.09 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.402 ' N ' HG23 ' A' ' 19' ' ' VAL . 18.7 p30 -54.95 -30.35 58.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -129.2 27.64 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -63.61 130.7 45.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' OD1' ' HD2' ' A' ' 63' ' ' ARG . 0.9 OUTLIER -53.74 134.96 55.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.48 -58.71 1.58 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.475 2.117 . . . . 0.0 112.379 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.59 -57.82 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.541 ' HG ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -53.27 -36.31 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -48.91 68.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.2 m -69.92 -31.08 68.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HG22 ' A' ' 82' ' ' VAL . 6.3 tp -58.4 -21.82 51.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' HD1' HD12 ' A' ' 35' ' ' ILE . 17.3 m-85 -93.48 -53.69 3.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.745 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -26.93 9.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.701 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.7 mtt-85 -78.14 -39.02 42.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.037 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' N ' ' CG1' ' A' ' 82' ' ' VAL . . . -75.82 -23.46 55.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.187 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.43 47.06 1.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.715 HD12 HD21 ' A' ' 85' ' ' LEU . 57.1 mt -125.74 138.89 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.733 0.301 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.6 p -116.63 -179.6 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.169 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.679 ' O ' HG23 ' A' ' 41' ' ' THR . 1.2 mt-10 -59.76 -23.6 63.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.39 93.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.164 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.9 -24.25 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mt -90.37 -21.52 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.326 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 37' ' ' GLU . 77.1 p -94.49 33.64 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.131 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.13 117.66 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.12 -23.38 54.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -78.95 -42.4 26.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.066 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.569 HG22 HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -85.54 -31.41 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.9 p -50.1 -36.14 28.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -40.91 16.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.759 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.633 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.8 tm? -57.69 -32.5 67.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.717 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.569 HD11 HG22 ' A' ' 45' ' ' THR . 10.2 mt -88.04 -24.72 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.29 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -55.83 -21.74 21.29 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.374 -179.244 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -59.15 -18.6 37.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.67 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -87.14 -61.42 1.73 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.165 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.602 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -63.51 -18.61 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.31 178.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 3.2 tm-20 -83.88 -48.59 9.87 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.99 0.424 . . . . 0.0 110.98 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.26 -34.92 63.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.526 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -55.7 -21.07 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.174 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.05 -22.11 9.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.265 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.933 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 142.05 141.39 3.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.62 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.908 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -56.52 -55.62 31.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 -179.36 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.908 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.2 pt-20 -70.41 -32.12 69.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.499 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -64.13 -21.96 66.75 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.839 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 58' ' ' GLY . 77.0 t -83.4 -37.92 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.451 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.406 ' HD2' ' OD1' ' A' ' 23' ' ' ASP . 9.3 mtp85 -46.98 -44.82 20.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.17 -24.83 66.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.712 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -84.24 -48.57 9.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.646 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.4 tp . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 120.634 0.254 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.701 HG11 ' HB3' ' A' ' 32' ' ' ARG . 19.5 t -75.59 -33.45 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.184 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.14 -21.9 57.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.585 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.35 -42.46 22.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.833 ' O ' HD12 ' A' ' 85' ' ' LEU . 3.9 tp -61.88 -24.95 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.782 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 mtt -71.23 -29.62 65.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.081 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -78.94 -27.01 43.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.2 t -72.57 -27.66 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 51.5 mmm -83.01 -24.6 32.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.65 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -60.55 -32.74 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.64 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -59.07 -42.42 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.75 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -78.89 -28.53 44.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.027 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 -179.818 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.54 HG22 ' H ' ' A' ' 11' ' ' TRP . 3.7 p . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.186 0.517 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.23 -40.73 28.25 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.178 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.54 ' H ' HG22 ' A' ' 9' ' ' VAL . 3.5 t90 -76.0 135.66 39.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.833 0.349 . . . . 0.0 110.454 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.36 135.79 27.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 35.3 Cg_exo -57.55 85.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.458 2.105 . . . . 0.0 112.272 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 172.92 -77.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -68.39 -46.71 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 -179.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.25 -101.01 2.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -102.62 153.02 20.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.796 0.331 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -114.31 64.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.709 ' HA ' HD12 ' A' ' 22' ' ' LEU . 34.2 m -53.07 -29.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -72.34 -29.94 64.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.49 34.21 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.012 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -76.15 136.79 39.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.59 148.85 95.35 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.992 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.13 -60.02 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.446 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 3.4 m-20 -54.38 -51.79 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.594 HD12 HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -55.89 -43.0 76.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -44.28 75.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -25.69 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.766 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.901 HD12 HG22 ' A' ' 82' ' ' VAL . 8.0 tp -65.13 -22.03 66.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.438 ' HZ ' HD11 ' A' ' 53' ' ' ILE . 13.2 m-85 -90.61 -53.5 4.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -21.31 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.747 ' HB3' HG11 ' A' ' 82' ' ' VAL . 3.9 mtt180 -81.07 -24.67 37.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.59 -23.16 17.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.37 30.31 4.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.721 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' A' ' 85' ' ' LEU . 22.8 mt -107.63 132.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.019 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.4 169.45 8.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.179 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.64 ' HG3' HG11 ' A' ' 19' ' ' VAL . 5.9 tt0 -52.14 -46.3 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.018 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.85 -38.64 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -76.98 -24.48 52.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -80.57 -32.34 36.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.959 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 37' ' ' GLU . 19.1 p -69.7 -46.74 65.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.29 116.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.065 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.11 -52.42 65.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.002 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -53.71 -48.52 69.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.669 HG22 ' CD1' ' A' ' 49' ' ' ILE . 32.5 m -67.21 -37.08 83.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -52.76 -52.8 55.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.679 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -66.15 -34.6 78.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.563 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.76 -37.94 88.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.835 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.669 ' CD1' HG22 ' A' ' 45' ' ' THR . 18.1 mt -87.34 -20.53 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.509 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -20.54 58.03 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.724 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.09 -17.79 42.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.83 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CG ' ' HG ' ' A' ' 85' ' ' LEU . 60.4 t80 -86.31 -62.0 1.61 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.557 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.55 HG21 ' CD1' ' A' ' 59' ' ' LEU . 14.1 mt -64.25 -17.74 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.607 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.95 -24.37 33.03 Favored 'General case' 0 CA--C 1.527 0.061 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.121 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -83.56 -47.15 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.723 ' HB3' HG22 ' A' ' 62' ' ' VAL . 6.1 mp0 -55.74 -23.74 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.14 -24.97 11.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.56 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.895 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 158.31 -169.69 34.91 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.601 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.55 ' CD1' HG21 ' A' ' 53' ' ' ILE . 1.2 mp -84.7 -54.75 4.5 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.915 0.358 . . . . 0.0 110.308 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.46 -30.89 70.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.538 ' HB3' ' N ' ' A' ' 58' ' ' GLY . . . -61.09 -39.36 89.63 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.495 176.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 58' ' ' GLY . 92.9 t -83.73 -53.89 10.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.887 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.446 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 16.0 mtm180 -47.17 -26.69 1.2 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.39 -28.55 46.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.283 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.22 -58.44 2.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.645 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.41 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.567 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD21 HG13 ' A' ' 62' ' ' VAL . 26.9 tp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.909 0.385 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.901 HG22 HD12 ' A' ' 29' ' ' LEU . 58.5 t -72.36 -29.68 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.946 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.83 -31.52 72.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.304 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.35 -51.75 54.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 110.836 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 85' ' ' LEU . 1.8 tt -53.0 -34.13 54.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.724 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.2 mtt -53.12 -43.69 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -62.58 -40.99 98.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.638 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.55 -22.9 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.127 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.89 -26.71 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.549 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -61.57 -26.41 67.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.709 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -62.99 -50.74 69.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -56.42 -43.1 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.3 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.973 0.416 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.48 -36.37 7.48 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.081 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.563 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 8.1 t90 -77.42 153.36 33.71 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.211 0.529 . . . . 0.0 110.591 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.435 ' CB ' ' HB2' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -133.3 144.78 53.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.381 178.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.4 -15.84 20.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.662 2.242 . . . . 0.0 112.848 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -116.64 -52.39 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 111.336 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 12' ' ' ASP . 9.6 m-80 -47.53 -46.57 27.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.15 -159.8 30.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.511 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -74.57 154.02 38.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.973 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.96 46.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.642 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.613 HG21 ' HG3' ' A' ' 37' ' ' GLU . 10.9 p -52.25 -24.78 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.28 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -54.99 -44.67 74.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.563 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -133.74 47.46 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.596 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -61.37 129.27 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.001 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.67 144.32 25.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.176 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.14 -54.87 4.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.515 2.143 . . . . 0.0 112.119 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -41.36 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.673 HD23 ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -72.82 -42.34 63.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.19 -26.11 37.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.693 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -86.43 -27.86 23.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.392 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.655 ' CD1' HG22 ' A' ' 82' ' ' VAL . 7.3 tp -65.43 -21.88 66.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.865 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -90.58 -59.58 2.14 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.98 0.419 . . . . 0.0 110.951 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -48.83 -33.71 11.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.597 ' HB3' HG11 ' A' ' 82' ' ' VAL . 5.4 mtt180 -72.87 -37.44 67.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.423 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -77.37 -23.07 50.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.211 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.92 47.49 2.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.581 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.693 HD11 HD11 ' A' ' 85' ' ' LEU . 27.6 mt -122.93 140.53 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.93 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -109.36 -176.16 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.613 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.1 mt-10 -65.91 -35.84 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.59 -50.09 33.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.319 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.4 -33.19 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.43 -43.7 66.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.958 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.7 p -70.98 -32.15 68.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.71 109.46 2.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.25 68.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.41 -36.29 82.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.84 -29.41 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.715 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' TYR . 4.5 p -51.1 -57.71 7.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -60.37 -28.88 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.207 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.624 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.9 tm? -73.82 -34.51 64.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.29 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.1 mt -88.09 -20.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.155 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.563 ' CE2' ' CZ3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -67.03 -22.72 65.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.649 -179.059 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.71 -17.88 50.85 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 77.7 t80 -88.53 -57.39 2.93 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.542 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.659 HG21 ' HB2' ' A' ' 59' ' ' LEU . 1.5 mt -70.18 -18.88 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.764 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.485 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 12.5 tm-20 -84.25 -36.16 22.89 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.82 0.343 . . . . 0.0 111.046 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -81.08 -41.37 22.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.628 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -55.54 -20.71 14.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 0.0 111.222 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.62 -28.35 5.74 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.121 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.876 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 153.17 149.18 5.09 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.894 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -59.71 -55.47 33.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.809 0.337 . . . . 0.0 110.988 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.894 ' N ' HD23 ' A' ' 59' ' ' LEU . 8.7 pt-20 -74.15 -33.8 63.63 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.585 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -58.67 -26.71 64.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.034 176.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 58' ' ' GLY . 36.5 t -79.49 -39.3 20.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.428 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -53.65 -31.4 47.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.123 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -77.1 -29.73 54.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.494 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -84.01 -46.15 12.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.5 pt? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.867 0.365 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.655 HG22 ' CD1' ' A' ' 29' ' ' LEU . 46.6 t -63.37 -42.29 95.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.664 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.86 79.18 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.028 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -55.56 -38.4 69.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.649 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 35' ' ' ILE . 5.1 tp -67.28 -38.44 85.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.389 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.9 mtt -57.39 -40.42 78.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -68.69 -36.71 78.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.982 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 84' ' ' ALA . 58.6 t -62.23 -30.42 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 68.2 mmm -79.19 -31.64 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -68.9 -32.45 72.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -34.32 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.1 tpt85 -77.28 -36.26 54.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.717 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.58 HG12 ' H ' ' A' ' 11' ' ' TRP . 89.1 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.883 0.373 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.93 -31.7 22.87 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.88 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.58 ' H ' HG12 ' A' ' 9' ' ' VAL . 2.3 t90 -86.79 148.08 25.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.68 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -146.16 152.83 47.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.81 63.0 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.656 2.237 . . . . 0.0 112.308 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.61 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -58.53 -50.21 74.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.96 -93.8 1.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CD2' HD12 ' A' ' 40' ' ' LEU . 3.4 m-85 -119.49 115.7 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.972 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.52 68.26 10.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 22' ' ' LEU . 30.6 m -55.96 -30.13 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.1 p30 -59.88 -42.04 92.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.032 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -120.99 36.18 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -66.24 125.84 26.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.775 179.67 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.59 138.53 60.94 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.886 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.24 -56.83 2.39 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.504 2.136 . . . . 0.0 112.296 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.53 -51.74 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -68.3 -26.94 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.693 179.571 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -55.72 -43.32 76.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.797 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 m -75.42 -26.94 58.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' CD1' ' HG ' ' A' ' 81' ' ' LEU . 4.4 tp -67.02 -17.58 64.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.192 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.787 ' HD1' HD12 ' A' ' 35' ' ' ILE . 9.8 m-85 -101.41 -60.23 1.56 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.885 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -50.06 -29.7 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -77.7 -31.51 52.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.192 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.96 -23.07 41.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.225 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.94 52.42 0.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.582 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.787 HD12 ' HD1' ' A' ' 30' ' ' PHE . 21.1 mt -128.23 137.48 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.775 ' O ' HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -125.29 166.08 17.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.682 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -45.29 -39.13 6.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.335 -179.602 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.65 -33.53 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.4 -56.75 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 35' ' ' ILE . 0.4 OUTLIER -59.32 -47.08 86.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.633 -179.189 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 37' ' ' GLU . 66.7 p -50.13 -27.06 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.991 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -80.89 122.48 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.1 94.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.89 -38.34 90.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.585 HG22 HD11 ' A' ' 49' ' ' ILE . 88.7 m -72.2 -29.75 64.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.4 m -62.4 -57.96 9.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.73 -48.98 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.634 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.4 tm? -54.22 -35.18 62.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 45' ' ' THR . 21.0 mt -88.36 -22.09 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.494 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -20.42 51.34 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.691 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -18.28 32.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.504 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' HE1' ' HB3' ' A' ' 84' ' ' ALA . 91.3 t80 -86.0 -61.58 1.72 Allowed 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.535 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 59' ' ' LEU . 1.1 mt -64.64 -17.95 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.632 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -83.45 -41.32 18.19 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.931 0.396 . . . . 0.0 110.77 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -77.86 -34.64 51.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.128 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -55.85 -20.6 16.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.21 -19.36 13.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.339 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.949 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 141.37 137.48 3.41 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.246 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.915 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -56.28 -55.48 32.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.736 0.303 . . . . 0.0 111.329 -179.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.915 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.53 -31.49 69.73 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.5 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.428 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -64.78 -25.49 67.94 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.441 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 58' ' ' GLY . 88.4 t -83.89 -36.22 11.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.178 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -46.43 -27.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 60' ' ' GLU . 2.9 mp0 -62.07 -42.69 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.93 -48.53 13.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 81' ' ' LEU . 15.8 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.73 0.3 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.441 HG22 HD12 ' A' ' 29' ' ' LEU . 61.4 t -85.96 -42.37 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -50.03 -42.01 38.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.461 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -52.95 -40.12 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 85' ' ' LEU . 2.5 tp -66.93 -41.73 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.3 mtt -52.72 -27.21 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.405 ' O ' ' HG3' ' A' ' 90' ' ' GLN . 29.3 m170 -78.5 -21.26 49.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.075 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.0 t -89.22 -20.5 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.408 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.413 ' CE ' HD11 ' A' ' 49' ' ' ILE . 1.8 mmt -81.27 -26.17 35.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -70.01 -31.03 68.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.87 -29.18 62.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -81.18 -53.22 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 121.013 0.435 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.23 -40.08 7.1 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.993 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.43 ' CD1' ' HA2' ' A' ' 16' ' ' GLY . 6.4 t90 -69.77 146.86 51.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.119 0.485 . . . . 0.0 110.416 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -120.37 160.72 42.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.769 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.94 -0.15 9.11 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.843 2.362 . . . . 0.0 112.967 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -113.38 -84.38 0.59 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.706 0.289 . . . . 0.0 111.138 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -49.4 -64.52 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.976 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' HA2' ' CD1' ' A' ' 11' ' ' TRP . . . 112.14 -97.83 0.94 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.694 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.446 ' CD2' ' HA ' ' A' ' 40' ' ' LEU . 11.6 m-85 -93.83 132.51 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.272 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -91.81 51.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.142 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.796 HG21 ' HG3' ' A' ' 37' ' ' GLU . 7.2 p -44.82 -27.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.814 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.06 -54.62 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.56 42.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -68.42 127.25 32.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.14 136.46 80.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -51.58 -51.62 10.78 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.414 2.076 . . . . 0.0 112.17 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.08 -53.09 37.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.76 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -67.03 -39.87 87.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.68 179.544 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -57.55 -32.12 66.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -79.52 -27.32 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.393 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.811 HD23 ' O ' ' A' ' 29' ' ' LEU . 3.5 tt -64.12 -29.03 70.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.704 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.748 ' HD1' HD12 ' A' ' 35' ' ' ILE . 17.9 m-85 -82.95 -55.84 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.836 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.22 -25.88 4.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.96 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.891 ' HB3' HG11 ' A' ' 82' ' ' VAL . 2.4 mtt85 -84.84 -43.68 13.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.984 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.88 -22.64 65.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.282 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.0 40.36 2.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.563 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.748 HD12 ' HD1' ' A' ' 30' ' ' PHE . 24.9 mt -119.64 147.74 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.7 p -120.27 -177.14 3.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.191 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.796 ' HG3' HG21 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -58.53 -39.06 79.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.03 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.75 -49.69 47.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -36.86 83.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 36.6 mt -74.33 -45.44 47.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 p -63.45 -44.84 93.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.117 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.09 104.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.005 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.44 -32.25 57.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -59.26 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -61.31 -31.03 70.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 50' ' ' TYR . 67.7 m -51.11 -58.97 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.588 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -56.49 -36.22 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.201 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.4 tm? -66.62 -33.68 76.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.274 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.9 mt -87.82 -22.85 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.04 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -65.17 -21.54 66.79 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.699 -178.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 32.8 t70 -59.78 -17.79 38.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 175.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 62.4 t80 -89.32 -61.34 1.72 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.784 HG21 ' HB2' ' A' ' 59' ' ' LEU . 5.6 mt -64.08 -18.24 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.148 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 1.5 tm-20 -80.21 -50.33 10.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.879 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -60.37 -44.12 95.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.833 -178.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.48 -20.05 11.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.355 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.45 -26.55 9.0 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.967 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.923 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 156.08 147.93 4.89 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.654 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.919 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -60.14 -54.93 40.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.885 0.374 . . . . 0.0 110.704 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.919 ' N ' HD23 ' A' ' 59' ' ' LEU . 3.2 pt-20 -69.85 -32.71 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.522 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -62.24 -27.74 69.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.932 176.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 58' ' ' GLY . 54.3 t -77.23 -40.36 29.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.522 177.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -52.15 -30.04 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.159 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -68.25 -30.4 69.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.631 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.88 -53.36 5.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.012 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.859 0.362 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.891 HG11 ' HB3' ' A' ' 32' ' ' ARG . 58.8 t -74.44 -34.29 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.991 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.5 -30.62 71.02 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.342 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -58.74 -24.74 62.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 111.048 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.661 HD22 HD11 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -83.74 -44.66 14.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.811 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.8 mtt -52.1 -24.94 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -85.05 -31.66 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.053 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 84' ' ' ALA . 22.1 t -73.31 -25.59 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.258 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 76.9 mmm -82.03 -24.94 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -70.07 -38.43 75.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -52.8 -45.94 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.13 -47.53 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.212 -179.776 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.57 HG22 ' H ' ' A' ' 11' ' ' TRP . 7.9 p . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 121.071 0.462 . . . . 0.0 111.568 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.1 -28.7 9.05 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.732 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.57 ' H ' HG22 ' A' ' 9' ' ' VAL . 4.2 t90 -82.44 141.17 32.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.948 0.404 . . . . 0.0 110.912 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -143.8 137.89 14.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.747 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 52.3 Cg_exo -55.25 84.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.575 2.183 . . . . 0.0 112.373 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -176.32 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -103.59 -55.44 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.28 -98.7 1.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.33 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.575 ' HE2' HD11 ' A' ' 53' ' ' ILE . 21.1 m-85 -103.97 175.7 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.857 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -139.34 33.78 2.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.666 HG21 ' HG3' ' A' ' 37' ' ' GLU . 14.7 p -39.91 -30.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.958 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -66.92 -49.32 65.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.949 0.404 . . . . 0.0 110.734 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.61 32.71 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.358 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD11 ' HB3' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -103.92 139.19 39.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.511 -179.201 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.745 ' N ' HD12 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -51.42 167.81 0.29 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.527 -178.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -79.56 -38.25 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.797 2.331 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -51.26 55.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.697 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.848 ' HB3' HD11 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -69.53 -25.93 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.72 179.278 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -56.81 6.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.794 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 m -60.02 -32.45 70.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.958 HD12 HG22 ' A' ' 82' ' ' VAL . 10.9 tp -56.71 -22.89 38.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.895 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.584 ' HD1' HD12 ' A' ' 35' ' ' ILE . 31.4 m-85 -94.89 -55.61 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -24.95 3.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -83.36 -24.86 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.08 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.458 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -85.77 -23.22 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.196 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.22 33.72 2.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.603 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.729 HD12 HD21 ' A' ' 85' ' ' LEU . 61.6 mt -122.78 135.02 64.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -103.42 178.76 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.666 ' HG3' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -61.0 -39.19 88.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.18 -46.35 45.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -34.81 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 48.4 mt -72.33 -23.51 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.7 p -99.68 40.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.91 134.73 49.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.929 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.17 -36.07 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -79.38 -31.99 43.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -86.09 -24.86 26.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -59.32 -57.89 11.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.031 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -55.84 -27.3 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.6 tm? -74.59 -34.38 62.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.651 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.7 mt -88.39 -25.72 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.828 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -20.85 19.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.751 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.86 -17.83 39.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.717 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 60.9 t80 -85.65 -61.36 1.78 Allowed 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.453 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' A' ' 59' ' ' LEU . 1.6 mt -64.37 -17.5 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.584 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.35 -47.94 10.93 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.829 0.347 . . . . 0.0 111.02 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -38.33 80.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.344 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -55.92 -20.26 15.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.227 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.87 -26.89 8.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.298 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.924 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 154.36 141.69 3.3 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.59 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.927 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -56.43 -55.19 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.882 0.372 . . . . 0.0 111.069 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.927 ' N ' HD23 ' A' ' 59' ' ' LEU . 9.7 pt-20 -70.28 -33.7 71.89 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.495 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -62.39 -22.44 66.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.621 177.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 58' ' ' GLY . 62.8 t -83.43 -47.93 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.671 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -46.95 -27.19 1.19 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.86 -30.39 67.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -84.04 -50.89 7.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.419 ' CE ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.839 0.352 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.958 HG22 HD12 ' A' ' 29' ' ' LEU . 21.2 t -79.96 -30.37 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.004 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.43 -39.63 84.14 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.63 85.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.729 HD21 HD12 ' A' ' 35' ' ' ILE . 2.8 tp -56.85 -42.7 80.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.8 mtt -52.04 -32.01 32.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -75.87 -20.91 57.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 31.2 t -86.71 -20.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.617 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.58 -37.67 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.787 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -52.12 -35.64 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -67.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.071 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -44.73 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.317 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 10' ' ' GLY . 3.1 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.173 0.511 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -93.84 -42.11 4.21 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.237 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.425 ' N ' HG22 ' A' ' 9' ' ' VAL . 21.8 t90 -64.48 130.39 43.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.007 0.432 . . . . 0.0 110.419 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -115.59 128.19 26.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.018 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 24.5 Cg_exo -62.63 72.32 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.445 2.096 . . . . 0.0 112.123 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER 177.04 -61.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.59 -48.93 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.736 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.8 -124.8 6.65 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.59 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -92.02 141.06 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.036 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -91.88 51.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.473 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 22' ' ' LEU . 7.8 p -54.65 -29.72 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.459 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -57.27 -44.94 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.004 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.49 43.37 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -71.4 139.1 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD1' ' HD2' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -67.27 131.52 93.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.732 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD2' ' OD1' ' A' ' 23' ' ' ASP . 71.0 Cg_exo -50.65 -42.84 48.57 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.422 2.081 . . . . 0.0 112.386 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -58.59 6.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.769 ' O ' HD13 ' A' ' 26' ' ' LEU . 3.2 tm? -58.91 -36.67 75.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.731 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -54.69 -49.91 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.672 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -27.51 67.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.423 HD13 ' HE1' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -60.14 -24.81 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 179.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' HD1' HD12 ' A' ' 35' ' ' ILE . 13.4 m-85 -85.24 -63.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -50.27 -25.64 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.995 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.512 ' HB3' HG11 ' A' ' 82' ' ' VAL . 12.0 mtp180 -80.78 -31.44 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.2 -23.15 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.43 39.74 1.32 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.635 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.508 HD12 ' HD1' ' A' ' 30' ' ' PHE . 21.4 mt -127.59 155.01 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.44 ' N ' HG22 ' A' ' 35' ' ' ILE . 1.8 m -132.59 178.93 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.701 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.5 tt0 -55.76 -43.08 76.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.89 -33.29 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.97 -34.44 51.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.018 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.8 -33.68 60.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.979 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 37' ' ' GLU . 66.4 p -67.72 -25.89 65.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.65 114.92 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -47.42 85.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.74 -37.15 86.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.522 HG22 HD11 ' A' ' 49' ' ' ILE . 30.9 m -75.88 -24.97 55.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.043 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -67.67 -34.79 77.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -53.15 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.312 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 48' ' ' LEU . 1.9 pp -61.96 -26.18 68.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.339 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.522 HD11 HG22 ' A' ' 45' ' ' THR . 64.0 mt -88.05 -24.61 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.56 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -67.57 -23.86 65.45 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.448 -179.34 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 52' ' ' PHE . 52.5 p-10 -58.66 -19.17 36.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.782 0.325 . . . . 0.0 110.133 176.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 18.6 t80 -87.27 -61.11 1.8 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.377 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.437 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -64.9 -18.88 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.541 178.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 2.0 tt0 -84.21 -48.2 10.04 Favored 'General case' 0 CA--C 1.527 0.069 0 CA-C-O 120.865 0.364 . . . . 0.0 111.148 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -76.65 -37.94 55.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.858 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -55.65 -21.25 17.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.705 0.288 . . . . 0.0 111.209 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.42 -29.2 4.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.279 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.691 ' HA3' ' HB3' ' A' ' 61' ' ' ALA . . . 146.54 154.13 6.1 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.449 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -62.06 -55.04 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.929 0.395 . . . . 0.0 110.933 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.632 ' N ' HD23 ' A' ' 59' ' ' LEU . 16.5 pt-20 -81.1 -33.53 33.24 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.691 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -58.3 -28.9 65.42 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.76 176.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 58' ' ' GLY . 2.9 t -81.42 -37.38 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.375 177.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.71 38.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.263 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -74.42 -27.65 60.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.513 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.31 -38.13 19.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.158 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.973 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.5 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.561 0.22 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 32' ' ' ARG . 61.6 t -69.5 -30.17 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 111.041 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.35 -36.9 70.3 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.989 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -51.32 -26.89 8.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.612 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.435 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -85.0 -38.05 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.667 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.1 mtt -55.85 -34.57 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.81 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -75.04 -26.17 59.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.984 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 84' ' ' ALA . 40.8 t -81.04 -21.03 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.424 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.3 mmt -79.84 -23.68 41.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -27.82 67.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -61.71 -48.96 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.61 -39.63 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.892 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 10' ' ' GLY . 62.3 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.159 0.504 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.478 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -84.98 -46.79 5.53 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.831 178.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -70.32 130.52 42.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.018 0.437 . . . . 0.0 110.467 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 25.6 p-10 -116.85 140.04 26.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.762 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 23.0 Cg_exo -63.95 67.96 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.552 2.168 . . . . 0.0 112.336 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -150.97 -74.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -97.28 -41.33 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.18 -91.68 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 40' ' ' LEU . 48.9 m-85 -107.18 -178.81 3.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 111.038 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -137.59 67.48 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.611 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.563 HG11 ' HG3' ' A' ' 37' ' ' GLU . 30.9 m -46.43 -31.98 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.559 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -56.94 -26.85 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -144.07 32.57 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD12 HG12 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -61.57 136.46 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.034 -179.693 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.43 147.77 36.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.12 -38.45 4.94 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.692 2.261 . . . . 0.0 112.478 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -69.35 -38.65 78.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -75.52 -41.31 55.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -51.09 -29.96 14.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.944 0.402 . . . . 0.0 110.666 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -84.24 -35.13 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.606 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 29' ' ' LEU . 2.4 tt -53.23 -26.49 17.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.472 ' CE2' HD12 ' A' ' 26' ' ' LEU . 24.9 m-85 -84.41 -54.76 4.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.883 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -49.83 -25.04 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HB3' HG11 ' A' ' 82' ' ' VAL . 19.0 mtp180 -87.22 -30.27 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -86.45 -23.35 26.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.069 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.07 47.9 1.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.783 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.708 HD11 HD11 ' A' ' 85' ' ' LEU . 18.8 mt -127.75 149.17 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.714 0.293 . . . . 0.0 110.932 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -125.54 -168.4 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.239 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.771 ' O ' HG23 ' A' ' 41' ' ' THR . 0.6 OUTLIER -65.59 -44.72 85.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.159 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.65 -30.97 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.443 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -80.4 -40.69 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 18.9 mt -72.46 -42.3 65.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 37' ' ' GLU . 16.3 p -61.1 -34.18 74.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.092 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -65.96 125.77 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.047 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.49 64.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -73.53 -49.6 25.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 m -69.74 -28.76 66.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' TYR . 1.6 t -59.31 -59.13 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.437 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -31.89 54.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.081 0.467 . . . . 0.0 109.974 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.8 tm? -69.82 -34.11 73.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.165 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.9 mt -88.43 -20.49 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.114 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -67.99 -21.99 65.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.692 -178.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.33 -18.05 47.18 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 80.7 t80 -87.72 -60.83 1.86 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.491 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.586 HG21 ' CD1' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -66.04 -17.63 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.863 179.242 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.78 -25.41 37.94 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.07 -44.02 20.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 52' ' ' PHE . 2.3 mp0 -57.9 -24.21 56.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.06 -26.28 9.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.473 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.896 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 156.24 -170.63 33.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.79 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.586 ' CD1' HG21 ' A' ' 53' ' ' ILE . 2.8 mp -83.79 -54.43 4.91 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.908 0.385 . . . . 0.0 110.39 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -29.81 70.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 173.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HB3' ' N ' ' A' ' 58' ' ' GLY . . . -62.29 -31.89 72.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.833 176.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 58' ' ' GLY . 53.4 t -83.51 -44.76 18.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.329 178.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -50.66 -42.6 56.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -50.57 -42.48 55.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.786 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.02 -38.92 18.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.028 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.25 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.883 0.373 . . . . 0.0 110.793 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.489 HG11 ' HB3' ' A' ' 32' ' ' ARG . 61.7 t -58.46 -45.67 89.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.402 ' HA2' ' HE3' ' A' ' 86' ' ' MET . . . -54.19 -40.41 67.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.417 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.47 -40.37 71.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 85' ' ' LEU . 3.8 tp -67.01 -30.1 70.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.681 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.402 ' HE3' ' HA2' ' A' ' 83' ' ' GLY . 22.1 mtt -65.15 -45.22 85.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.823 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.49 -45.99 90.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.42 -21.37 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.9 mmt -83.14 -25.67 31.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 0.0 110.793 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.92 -31.92 64.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -64.33 -28.58 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -49.95 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.983 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.547 HG22 ' H ' ' A' ' 11' ' ' TRP . 7.3 p . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 121.088 0.471 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.94 -35.05 25.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.7 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.547 ' H ' HG22 ' A' ' 9' ' ' VAL . 5.1 t90 -84.13 142.57 30.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.779 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' GLN . 31.4 m-20 -144.81 151.79 50.48 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.829 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.55 68.91 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.559 2.172 . . . . 0.0 112.25 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.1 mt-30 -151.72 -83.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -84.42 -47.73 10.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.49 -91.53 1.06 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.439 ' CZ ' ' CZ ' ' A' ' 30' ' ' PHE . 13.5 m-85 -108.51 178.92 4.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -179.62 69.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.971 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.545 ' HA ' HD23 ' A' ' 22' ' ' LEU . 20.5 m -43.75 -29.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.456 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.5 -51.07 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.821 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -104.79 21.9 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 19' ' ' VAL . 1.3 tp -105.03 134.7 47.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.9 146.55 27.57 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.36 -35.02 14.64 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.58 2.187 . . . . 0.0 112.021 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.6 -48.99 57.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.626 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.659 ' HG ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -74.71 -29.71 61.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 178.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -58.13 -46.15 86.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.452 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.6 m -69.74 -26.66 64.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.514 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.913 HD12 HG22 ' A' ' 82' ' ' VAL . 6.5 tp -70.11 -22.9 62.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.699 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.848 ' CZ ' HD11 ' A' ' 53' ' ' ILE . 6.6 m-85 -89.66 -63.77 1.24 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.02 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.5 m -48.39 -34.88 11.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.114 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HB3' HG11 ' A' ' 82' ' ' VAL . 31.0 mtp85 -67.69 -28.4 67.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.51 -23.02 43.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.19 34.65 2.48 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.557 HD12 HD21 ' A' ' 85' ' ' LEU . 50.7 mt -116.7 142.16 31.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 111.076 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.37 178.77 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -60.89 -38.02 84.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.91 -49.71 68.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.32 -27.04 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.5 mt -82.32 -43.98 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.084 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.9 p -64.11 -25.25 68.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.51 118.83 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.02 93.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -40.47 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 49' ' ' ILE . 57.8 m -86.18 -30.63 22.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 12.2 p -49.85 -59.62 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.266 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' ' OG ' ' A' ' 46' ' ' SER . 14.0 ptmt -64.9 -30.48 71.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.3 tm? -65.58 -34.35 78.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.508 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.616 ' CD1' HG22 ' A' ' 45' ' ' THR . 59.0 mt -88.39 -20.84 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.415 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -20.69 52.48 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.819 -178.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -58.51 -17.87 24.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.606 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.428 ' HE1' ' HB3' ' A' ' 84' ' ' ALA . 67.9 t80 -86.4 -61.78 1.66 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.848 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 9.4 mt -64.31 -17.43 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -30.23 28.06 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -79.55 -41.24 27.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.375 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.463 ' HB3' HG22 ' A' ' 62' ' ' VAL . 3.9 mp0 -55.26 -21.82 15.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.003 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.92 -21.94 13.08 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.288 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.948 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 154.44 136.42 2.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.925 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -54.67 -54.99 34.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.784 0.326 . . . . 0.0 111.036 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.925 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -70.41 -31.38 68.56 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.497 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -65.99 -19.94 66.03 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.745 177.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 58' ' ' GLY . 78.9 t -82.93 -32.59 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.698 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -47.58 -28.53 2.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -30.67 30.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -74.62 -49.01 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 tp . . . . . 0 N--CA 1.466 0.363 0 CA-C-O 120.742 0.305 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.913 HG22 HD12 ' A' ' 29' ' ' LEU . 11.0 t -78.32 -22.45 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.342 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.25 80.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.464 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -68.94 -48.92 62.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.98 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.604 HD21 ' HD1' ' A' ' 30' ' ' PHE . 6.8 tp -50.49 -47.41 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.5 mtt -51.65 -54.2 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.755 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -51.28 -24.69 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.04 -27.3 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.217 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.419 ' SD ' HD11 ' A' ' 35' ' ' ILE . 67.9 mmm -83.48 -35.61 24.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.561 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -63.12 -32.36 73.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.773 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -67.5 -50.6 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.769 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -65.07 -44.26 89.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.764 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.923 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 10' ' ' GLY . 94.6 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.035 0.445 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.52 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -88.86 -47.56 4.16 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.352 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 4.2 t90 -68.59 123.16 20.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.905 0.384 . . . . 0.0 110.215 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -104.38 126.51 31.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.989 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 37.0 Cg_exo -60.72 77.37 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.236 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER 174.69 -60.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.29 -48.57 17.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.55 -138.31 14.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.381 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -69.86 173.18 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.49 64.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.145 0.498 . . . . 0.0 110.711 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 22' ' ' LEU . 30.3 m -66.83 -29.65 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -57.35 -33.25 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -136.31 38.84 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD12 HG12 ' A' ' 19' ' ' VAL . 1.6 mt -72.39 141.99 48.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.926 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.39 153.93 91.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.816 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.06 -38.15 7.51 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.549 2.166 . . . . 0.0 112.232 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.77 83.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.66 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.635 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.9 tm? -75.06 -45.31 42.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -52.28 -33.96 44.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -26.26 56.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.485 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 81' ' ' LEU . 2.2 tt -61.22 -25.83 67.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.796 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.607 ' HD1' HD12 ' A' ' 35' ' ' ILE . 40.5 m-85 -91.47 -47.25 7.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -52.41 -25.75 10.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.756 ' CB ' HG11 ' A' ' 82' ' ' VAL . 31.9 mtt85 -84.57 -40.66 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -72.46 -23.19 61.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.69 50.56 1.95 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.649 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.607 HD12 ' HD1' ' A' ' 30' ' ' PHE . 36.8 mt -126.8 147.08 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 111.092 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.63 -175.81 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.559 ' HA ' HD12 ' A' ' 40' ' ' LEU . 4.2 mt-10 -59.45 -40.63 87.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.24 -40.94 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.504 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.412 ' HB2' HG23 ' A' ' 35' ' ' ILE . 21.6 mt-30 -81.78 -23.18 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 37' ' ' GLU . 12.2 mt -86.46 -22.38 26.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.259 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 37' ' ' GLU . 64.8 p -81.28 -40.49 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -59.87 129.2 40.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.061 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.01 66.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -38.87 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.493 HG22 HD11 ' A' ' 49' ' ' ILE . 2.4 m -84.98 -41.33 15.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.0 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.0 m -50.57 -59.24 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.786 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -56.54 -40.94 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.015 0.435 . . . . 0.0 109.999 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.627 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.1 tm? -58.96 -33.37 70.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.281 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 45' ' ' THR . 47.2 mt -88.23 -24.01 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.14 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' CE2' ' CZ3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -63.36 -23.85 67.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.403 -178.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.9 -18.15 42.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 20.0 t80 -85.77 -60.99 1.86 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.526 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.643 HG21 ' CD1' ' A' ' 59' ' ' LEU . 8.9 mt -66.45 -17.63 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.672 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 0.1 OUTLIER -80.3 -32.82 37.99 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.788 0.328 . . . . 0.0 111.108 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.26 -38.89 63.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.667 ' HB3' HG22 ' A' ' 62' ' ' VAL . 90.6 mm-40 -59.73 -24.42 64.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.86 -25.58 14.27 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.39 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.889 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 159.69 -176.98 36.38 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.293 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.643 ' CD1' HG21 ' A' ' 53' ' ' ILE . 1.4 mp -80.14 -54.51 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.201 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.17 -31.41 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 173.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.592 ' HB3' ' N ' ' A' ' 58' ' ' GLY . . . -61.63 -31.59 71.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.178 176.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 58' ' ' GLY . 42.6 t -82.49 -43.66 19.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.091 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -51.22 -35.01 34.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.667 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -62.47 -43.47 98.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.837 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -84.44 -40.25 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.798 ' CD1' HD11 ' A' ' 29' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.737 0.303 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.756 HG11 ' CB ' ' A' ' 32' ' ' ARG . 53.9 t -57.03 -45.8 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.29 -26.33 36.16 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.246 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.56 -33.67 60.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.813 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.842 HD12 HG12 ' A' ' 88' ' ' VAL . 2.8 tp -62.99 -46.9 85.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.3 mtt -50.0 -24.8 2.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -77.5 -33.84 54.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.451 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.842 HG12 HD12 ' A' ' 85' ' ' LEU . 1.3 p -65.78 -27.34 41.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.879 0.371 . . . . 0.0 111.048 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 25.2 mmt -76.09 -39.51 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -57.37 -36.01 70.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -60.13 -43.42 95.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.681 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.35 -48.84 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.78 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.522 HG22 ' H ' ' A' ' 11' ' ' TRP . 8.0 p . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.953 0.406 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.13 -30.88 7.56 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.522 ' H ' HG22 ' A' ' 9' ' ' VAL . 22.2 t90 -75.43 112.95 12.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.917 0.389 . . . . 0.0 110.256 177.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -102.3 125.73 35.45 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.91 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.05 88.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.345 2.03 . . . . 0.0 112.135 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.91 -62.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.62 -48.43 6.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.069 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.69 -119.45 3.94 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.549 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -81.18 154.38 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 110.995 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.6 66.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.587 HG12 HD12 ' A' ' 22' ' ' LEU . 6.5 m -59.77 -25.03 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.27 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.413 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 8.7 p30 -57.88 -48.65 79.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.714 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.413 ' ND2' ' OD1' ' A' ' 20' ' ' ASN . 18.5 p30 -116.15 30.99 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.587 HD12 HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -61.36 137.74 58.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.036 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.77 142.24 88.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.92 -59.71 0.95 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.576 2.184 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -49.57 -61.05 2.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -52.68 -36.58 57.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.772 179.74 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -30.86 70.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 110.492 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.95 -27.51 24.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.148 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.95 ' CD1' HG22 ' A' ' 82' ' ' VAL . 6.8 tp -58.58 -25.19 62.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.774 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.661 ' HD1' HD12 ' A' ' 35' ' ' ILE . 16.6 m-85 -82.76 -59.69 2.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.791 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -48.94 -29.23 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.045 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.487 ' HB3' HG11 ' A' ' 82' ' ' VAL . 11.4 mtp85 -81.8 -28.34 33.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.31 -23.44 21.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.88 40.26 1.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.897 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.661 HD12 ' HD1' ' A' ' 30' ' ' PHE . 23.2 mt -128.14 148.97 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 111.192 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.12 174.37 10.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' THR . 1.9 tt0 -51.82 -27.16 11.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.53 82.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.276 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -80.41 -29.77 37.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 37' ' ' GLU . 35.6 mt -69.96 -32.5 70.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.127 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 37' ' ' GLU . 24.7 p -67.46 -43.13 81.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.986 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.66 129.53 42.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -41.47 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.32 -34.59 78.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 6.4 m -78.19 -44.46 25.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 p -53.3 -34.69 58.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -62.53 -57.6 10.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 48' ' ' LEU . 1.1 pp -58.23 -30.04 66.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 110.772 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.417 HD11 ' CE ' ' A' ' 89' ' ' MET . 74.0 mt -80.04 -30.14 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -63.4 -23.34 67.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.587 -178.668 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -60.47 -17.79 47.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 47.7 t80 -87.59 -57.36 2.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.61 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.708 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.0 mt -71.43 -18.51 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.834 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 2.8 tm-20 -83.97 -22.16 31.52 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.718 0.294 . . . . 0.0 111.474 178.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -88.89 -46.55 8.83 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.465 ' OE1' ' CE1' ' A' ' 52' ' ' PHE . 5.8 mp0 -55.79 -19.69 12.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.405 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.26 -31.84 4.74 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.021 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.863 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 163.25 151.7 6.53 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.684 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -61.68 -55.14 33.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.863 0.363 . . . . 0.0 110.742 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.914 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -72.96 -31.23 64.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.542 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -63.19 -26.46 68.82 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.013 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 58' ' ' GLY . 23.6 t -79.07 -41.15 22.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.37 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -51.58 -33.73 33.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.321 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -67.73 -33.2 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.541 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -35.87 42.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.722 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.6 pt? . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.896 0.379 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.95 HG22 ' CD1' ' A' ' 29' ' ' LEU . 61.1 t -55.35 -47.85 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.007 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.98 -42.07 98.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.302 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -51.65 -30.1 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -77.08 -36.68 55.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.803 179.633 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.3 mtt -55.61 -44.59 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -64.29 -35.47 80.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.622 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 84' ' ' ALA . 59.9 t -67.31 -37.27 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.891 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.417 ' CE ' HD11 ' A' ' 49' ' ' ILE . 3.4 mmt -71.22 -37.24 72.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.699 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -66.88 -29.24 69.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.643 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -44.03 84.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.748 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -83.87 -30.72 26.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.768 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.496 HG22 ' H ' ' A' ' 11' ' ' TRP . 9.6 p . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.895 0.379 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.48 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -114.62 -21.57 5.39 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.748 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.496 ' H ' HG22 ' A' ' 9' ' ' VAL . 57.0 t90 -68.32 100.93 1.12 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.178 0.513 . . . . 0.0 110.446 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -84.12 125.41 72.56 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.724 179.403 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.34 77.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.605 2.204 . . . . 0.0 112.343 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER 172.75 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.864 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.93 -52.3 37.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.769 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.96 -87.41 1.14 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.608 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -116.77 159.19 22.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.24 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.63 46.36 2.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.685 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.46 HG21 ' HG3' ' A' ' 37' ' ' GLU . 15.0 p -48.05 -25.66 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.51 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -60.06 -29.49 68.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.172 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -149.51 33.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.015 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.21 140.47 52.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.09 137.92 80.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.38 -44.5 43.05 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.434 2.09 . . . . 0.0 112.181 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 3.0 m-20 -56.72 -57.86 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.773 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.677 HD23 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -61.18 -34.09 74.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 179.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -56.58 -46.36 80.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.0 p -70.19 -40.8 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.6 -24.03 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.785 ' HD1' HD12 ' A' ' 35' ' ' ILE . 27.5 m-85 -94.02 -51.61 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 t -53.36 -24.93 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.665 ' HB3' HG11 ' A' ' 82' ' ' VAL . 55.3 mtt-85 -77.29 -24.27 51.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.44 -23.11 20.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.139 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.28 63.44 0.94 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.569 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.785 HD12 ' HD1' ' A' ' 30' ' ' PHE . 22.4 mt -125.59 138.21 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 p -104.49 172.68 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.2 mt-10 -60.83 -31.71 71.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.6 -46.17 73.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -70.29 -37.26 74.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.019 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -68.9 -42.71 76.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 37' ' ' GLU . 61.5 p -74.11 -41.97 60.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.117 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.67 125.52 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.29 -26.9 61.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.02 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.91 -41.34 59.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -86.02 -24.76 26.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.007 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.5 p -50.01 -59.14 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.864 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -65.16 -37.82 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.695 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 tp -57.73 -31.34 66.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.45 HG12 ' CE ' ' A' ' 89' ' ' MET . 24.3 mt -88.33 -22.19 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.402 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -20.26 63.25 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.793 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.32 -17.9 23.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.641 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' HE1' ' HB3' ' A' ' 84' ' ' ALA . 88.0 t80 -86.98 -61.77 1.65 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.8 mt -61.74 -18.23 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.599 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -83.65 -28.96 28.03 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.722 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -50.07 35.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.61 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.705 ' HB3' HG22 ' A' ' 62' ' ' VAL . 2.3 mp0 -55.46 -20.32 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.318 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.75 -26.31 8.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.208 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.919 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 163.05 142.3 3.36 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.654 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.893 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -53.51 -55.3 26.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.731 0.301 . . . . 0.0 111.254 -179.607 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.893 ' N ' HD23 ' A' ' 59' ' ' LEU . 7.0 pt-20 -73.38 -35.79 65.96 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.522 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -58.23 -20.71 44.01 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.616 176.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 58' ' ' GLY . 55.4 t -83.43 -47.17 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 61.2 mtp180 -46.04 -39.38 9.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.274 -179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -52.47 -38.15 58.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -56.02 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.891 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.29 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.752 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 121.072 0.463 . . . . 0.0 111.263 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.665 HG11 ' HB3' ' A' ' 32' ' ' ARG . 5.2 t -55.58 -43.85 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.362 -175.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.44 -38.76 81.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.357 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.573 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -56.17 -38.8 71.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 30' ' ' PHE . 1.6 tt -71.45 -43.23 67.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.905 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.6 mtt -50.7 -29.35 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.749 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.41 ' HA ' ' HG2' ' A' ' 90' ' ' GLN . 10.9 m170 -78.47 -24.12 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.823 179.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.76 -32.67 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.45 ' CE ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -81.35 -31.43 33.39 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.594 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 87' ' ' HIS . 12.3 pt20 -65.82 -24.65 66.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.654 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -63.33 -57.76 9.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -61.11 -29.84 70.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 121.016 0.436 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.54 -29.36 8.32 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.861 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.539 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 14.5 t90 -86.19 125.33 33.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.959 0.409 . . . . 0.0 110.566 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -107.92 130.73 22.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.919 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.04 72.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.669 2.246 . . . . 0.0 112.464 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER 172.04 -64.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.94 -44.8 96.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.3 -123.58 6.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.552 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -94.71 170.74 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.71 64.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.62 -33.86 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.082 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 19.3 p30 -54.84 -30.3 57.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 1.2 m-20 -138.51 37.16 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.705 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 22' ' ' LEU . 1.4 mt -69.0 142.47 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.475 ' HB2' HD21 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -57.06 138.91 79.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.44 -43.23 59.3 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.505 2.137 . . . . 0.0 112.525 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.39 -60.86 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.117 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.665 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.6 tm? -49.38 -38.22 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.08 -30.45 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.745 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -84.56 -33.76 23.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.471 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.83 HD23 ' O ' ' A' ' 29' ' ' LEU . 4.8 tt -55.89 -24.15 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.75 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HD11 ' A' ' 53' ' ' ILE . 9.0 m-85 -91.31 -62.68 1.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.3 t -49.61 -26.2 3.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB3' HG21 ' A' ' 82' ' ' VAL . 47.8 mtt-85 -82.52 -27.96 31.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.35 -19.16 34.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.289 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.42 39.12 2.87 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.538 HD12 HD21 ' A' ' 85' ' ' LEU . 43.2 mt -126.53 123.39 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.416 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 43.5 m -104.16 176.53 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 41' ' ' THR . 2.1 mt-10 -54.06 -26.43 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.78 -53.65 45.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.352 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.416 ' OE1' ' N ' ' A' ' 36' ' ' SER . 21.4 mp0 -73.84 -29.74 62.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.417 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.85 -27.31 55.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 37' ' ' GLU . 19.2 p -80.89 -25.42 37.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.4 104.21 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.98 -28.0 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.242 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -80.02 -56.56 4.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.099 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.1 m -63.54 -21.04 66.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.451 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -71.47 -43.07 67.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.0 111.378 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -52.07 -57.13 10.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.492 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.13 -24.47 40.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.183 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 85.8 mt -85.95 -26.95 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.456 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.539 ' CE2' ' CZ3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -66.39 -22.64 66.25 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.548 -179.418 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -59.81 -17.94 39.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 32.1 t80 -88.39 -61.21 1.76 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.635 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.557 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -64.87 -18.31 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.891 179.79 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -83.7 -37.76 22.33 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.876 0.369 . . . . 0.0 111.168 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.92 -38.99 26.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.924 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -55.55 -20.28 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 111.402 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.77 -24.93 6.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.899 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.848 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 143.0 147.65 4.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.513 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.823 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.5 OUTLIER -58.82 -55.27 37.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.8 0.333 . . . . 0.0 111.271 -179.281 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.823 ' N ' HD23 ' A' ' 59' ' ' LEU . 13.1 pt-20 -75.25 -34.23 61.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -58.49 -28.05 65.02 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.983 176.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 58' ' ' GLY . 24.9 t -77.37 -41.27 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.524 177.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.2 ttt-85 -51.93 -37.39 52.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.245 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -67.62 -27.93 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.292 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.77 -52.83 5.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.723 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.513 HD21 HG13 ' A' ' 62' ' ' VAL . 8.8 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.703 0.287 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -76.5 -34.48 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.577 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.32 -23.8 66.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.697 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.63 -33.87 58.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.008 0.433 . . . . 0.0 110.546 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.861 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.4 tp -63.55 -36.99 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.523 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.0 mtt -53.44 -22.75 8.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.423 ' HA ' ' HG3' ' A' ' 90' ' ' GLN . 7.0 m170 -80.19 -45.82 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.399 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.838 HG12 HD12 ' A' ' 85' ' ' LEU . 1.2 p -52.28 -27.47 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.906 0.384 . . . . 0.0 111.049 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.6 mmt -75.09 -28.14 60.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.423 ' HG3' ' HA ' ' A' ' 87' ' ' HIS . 5.4 mm-40 -57.86 -34.25 69.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -42.93 88.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -54.66 11.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.031 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.062 -179.669 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.965 0.412 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.75 -33.63 6.04 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.767 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -82.04 146.09 29.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.979 0.418 . . . . 0.0 110.415 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.33 144.34 47.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.5 59.03 2.54 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.826 2.35 . . . . 0.0 112.697 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.31 -73.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -68.52 -50.83 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.28 -130.84 9.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.63 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.59 149.45 26.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.561 ' C ' HD13 ' A' ' 22' ' ' LEU . 14.6 t0 -102.97 38.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.823 HG23 HD22 ' A' ' 22' ' ' LEU . 7.8 p -45.13 -29.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.569 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -54.63 -43.47 72.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.186 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -118.18 27.58 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.265 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.823 HD22 HG23 ' A' ' 19' ' ' VAL . 1.1 tp -52.77 133.34 37.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.001 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.93 142.27 56.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.28 -56.78 2.23 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.548 2.165 . . . . 0.0 112.154 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.407 ' OD1' ' NE ' ' A' ' 63' ' ' ARG . 2.2 m-20 -60.9 -40.79 94.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -64.29 -44.87 90.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -26.74 14.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.557 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.42 -28.76 23.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.342 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.738 ' CD1' HG22 ' A' ' 82' ' ' VAL . 11.0 tp -58.2 -24.8 60.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.795 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CE2' HD12 ' A' ' 26' ' ' LEU . 30.7 m-85 -84.13 -56.84 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.748 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -24.99 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.769 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.846 ' HB3' HG11 ' A' ' 82' ' ' VAL . 83.0 mtt180 -86.96 -24.36 24.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.51 -23.16 19.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.76 29.29 5.03 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.929 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.651 HD12 HD21 ' A' ' 85' ' ' LEU . 24.4 mt -116.04 138.67 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.965 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.91 174.59 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 41' ' ' THR . 3.2 tt0 -50.71 -38.33 46.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.799 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.76 -54.77 20.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.79 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.526 ' HB2' HG23 ' A' ' 35' ' ' ILE . 9.8 mp0 -64.02 -26.43 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.635 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.439 HD13 HD21 ' A' ' 22' ' ' LEU . 21.7 mt -76.67 -46.7 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.136 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 37' ' ' GLU . 23.5 p -68.44 -24.13 64.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.352 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.77 110.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.073 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.06 -35.66 73.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.19 -54.15 14.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -64.34 -30.18 71.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.704 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 p -51.13 -58.46 6.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.682 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -59.38 -31.7 69.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.291 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.0 tm? -69.83 -31.72 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.507 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -88.13 -20.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.183 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.418 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -65.64 -22.07 66.62 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.713 -178.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.3 -19.91 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 74.0 t80 -89.61 -61.37 1.71 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.692 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.572 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -65.37 -19.47 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.956 -179.468 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 1.9 tt0 -84.84 -22.02 29.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.694 0.283 . . . . 0.0 111.293 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 -46.39 8.51 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 7.7 mp0 -55.27 -19.97 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.622 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.8 -30.85 4.74 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.026 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.854 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 158.22 150.39 5.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.848 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.894 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -60.16 -55.3 35.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.875 0.369 . . . . 0.0 110.96 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.894 ' N ' HD23 ' A' ' 59' ' ' LEU . 6.9 pt-20 -73.52 -33.1 64.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 176.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.543 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -59.82 -28.32 67.37 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.868 176.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 58' ' ' GLY . 42.2 t -80.34 -40.01 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.496 176.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' NE ' ' OD1' ' A' ' 25' ' ' ASP . 52.7 ttt-85 -51.89 -30.65 24.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.22 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.11 -38.92 84.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.75 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.89 -35.13 22.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.886 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.5 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.6 pt? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.85 0.357 . . . . 0.0 110.772 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.846 HG11 ' HB3' ' A' ' 32' ' ' ARG . 48.6 t -62.67 -45.41 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.42 -39.74 74.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.301 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -52.54 -39.09 61.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 110.803 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 35' ' ' ILE . 9.8 tp -70.16 -33.78 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.58 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.73 ' HE2' HG12 ' A' ' 82' ' ' VAL . 28.4 mtt -59.49 -40.35 86.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.758 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -64.33 -51.02 65.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.701 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.9 t -55.53 -25.61 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.7 mmt -79.17 -28.86 42.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -72.74 -33.36 66.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.65 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -30.61 64.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.83 -50.22 8.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.728 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.793 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 10' ' ' GLY . 58.0 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.701 0.286 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.483 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -105.81 -33.73 3.46 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -65.54 101.29 0.58 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.172 0.51 . . . . 0.0 109.948 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 14' ' ' GLN . 38.2 p-10 -80.33 120.52 79.71 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.911 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.22 78.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.436 2.091 . . . . 0.0 112.165 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER 176.32 -66.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -77.56 -50.74 11.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.0 -102.56 1.09 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.583 ' CE2' HD22 ' A' ' 40' ' ' LEU . 30.4 m-85 -97.88 178.19 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.71 78.19 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.788 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.63 HG11 ' HG3' ' A' ' 37' ' ' GLU . 30.3 m -61.67 -26.21 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -56.72 -36.81 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.1 29.95 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -61.73 147.46 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.21 134.94 42.37 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.15 -52.67 7.33 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.531 2.154 . . . . 0.0 112.366 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.43 -50.2 32.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.752 ' HG ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.34 -34.95 61.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 5.7 mtp85 -54.6 -30.12 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.39 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -86.08 -22.17 27.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.936 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.619 HD11 HD12 ' A' ' 81' ' ' LEU . 1.7 tt -69.99 -26.64 64.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 35' ' ' ILE . 7.4 m-85 -78.7 -58.74 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.69 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -51.9 -25.74 8.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.641 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -80.71 -44.0 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.06 -23.43 59.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.16 44.49 1.37 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.949 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.582 HD11 HD22 ' A' ' 85' ' ' LEU . 20.2 mt -128.15 150.78 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -132.65 -177.12 4.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.102 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.63 ' HG3' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -57.06 -46.6 82.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.019 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.12 -28.88 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -84.83 -32.06 23.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.583 HD22 ' CE2' ' A' ' 17' ' ' PHE . 24.4 mt -79.93 -41.85 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.079 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.8 p -59.65 -32.83 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.54 120.99 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.0 -25.38 60.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.9 -40.74 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.972 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.748 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.8 m -76.36 -33.7 58.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -54.85 -45.7 74.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.61 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -55.22 -21.46 14.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.597 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 45' ' ' THR . 2.8 mm? -84.67 -35.06 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.413 0.625 . . . . 0.0 110.153 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.5 mt -84.15 -21.39 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.111 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -74.61 -21.23 59.57 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.599 -179.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.17 -17.76 54.65 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.429 ' CG ' ' HG ' ' A' ' 85' ' ' LEU . 57.5 t80 -89.11 -61.31 1.73 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.525 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -65.7 -18.81 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.925 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 6.2 tm-20 -84.08 -38.56 20.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.722 0.296 . . . . 0.0 111.228 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -86.05 -35.81 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.735 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -55.71 -20.1 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.475 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.01 -27.89 4.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.673 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 143.74 154.09 6.04 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.388 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.752 HD23 ' HG ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -65.59 -55.61 16.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.75 0.309 . . . . 0.0 111.677 -179.595 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' N ' HD13 ' A' ' 59' ' ' LEU . 7.6 pt-20 -76.54 -30.33 57.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.638 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -64.34 -27.16 68.83 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.237 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 58' ' ' GLY . 2.3 t -73.7 -40.82 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -52.43 -28.88 21.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.062 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.57 -30.0 67.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.605 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -84.95 -55.84 3.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mtt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.701 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.619 HD12 HD11 ' A' ' 29' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.85 0.357 . . . . 0.0 110.699 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.464 ' HA ' HD21 ' A' ' 29' ' ' LEU . 39.2 t -56.16 -27.71 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.19 -34.78 61.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.343 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.98 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.582 HD22 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -71.15 -48.06 54.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 9.7 mtt -55.63 -28.1 53.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -79.89 -29.9 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.706 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 84' ' ' ALA . 62.0 t -72.51 -37.93 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 74.2 mmm -70.87 -36.37 72.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -55.43 -26.45 42.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.794 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -60.6 -64.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -43.61 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.905 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.6 HG22 ' N ' ' A' ' 10' ' ' GLY . 5.4 p . . . . . 0 CA--C 1.541 0.614 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.6 ' N ' HG22 ' A' ' 9' ' ' VAL . . . 162.34 -29.9 0.28 Allowed Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 119.239 0.927 . . . . 0.0 111.235 -178.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.529 ' H ' HG22 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.8 151.39 23.4 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.916 0.388 . . . . 0.0 110.104 178.3 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.24 131.01 24.57 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.616 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.63 -22.24 16.6 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.366 2.044 . . . . 0.0 112.318 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.09 -81.53 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -51.0 -49.03 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.7 -102.69 2.89 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -96.56 151.42 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.07 76.89 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.67 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -61.15 -26.11 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.382 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -63.83 -30.0 71.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.729 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -140.12 44.48 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.854 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD11 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -66.28 146.34 54.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -69.71 119.21 69.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.767 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.77 -23.63 11.81 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.385 2.057 . . . . 0.0 112.55 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -61.23 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -63.76 -26.53 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.172 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -33.86 60.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.388 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.68 -31.06 46.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.534 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.4 tt -59.77 -24.12 63.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.753 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 23.0 m-85 -85.3 -59.27 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.81 -24.07 21.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HB3' HG11 ' A' ' 82' ' ' VAL . 1.7 mtt85 -88.85 -36.29 16.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.85 -23.15 42.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.07 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.89 40.89 1.78 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.63 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.731 HD12 HD21 ' A' ' 85' ' ' LEU . 28.6 mt -125.1 142.81 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.6 -177.2 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.049 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 41' ' ' THR . 1.3 tt0 -54.01 -42.58 69.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.035 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.86 -44.69 59.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.137 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.537 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -72.94 -23.09 60.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.455 HD13 HD11 ' A' ' 22' ' ' LEU . 56.0 mt -88.36 -27.43 21.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.084 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 37' ' ' GLU . 63.2 p -83.55 -44.22 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.42 131.81 33.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.43 -52.89 9.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.049 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -31.69 56.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 6.9 m -88.27 -45.51 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.223 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.4 p -46.73 -43.14 17.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 111.51 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -59.1 -57.3 13.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.514 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -55.77 -27.92 53.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 110.769 -179.41 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.3 mt -80.26 -20.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.511 ' CE2' ' CZ3' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -71.95 -30.22 65.08 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.438 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -54.73 -21.2 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.142 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 68.9 t80 -82.67 -61.33 1.91 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.326 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.5 mt -64.35 -18.26 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.696 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' OE1' ' CZ ' ' A' ' 50' ' ' TYR . 1.1 tt0 -83.85 -36.52 23.38 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 111.185 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -86.27 -36.18 19.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.654 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -55.6 -19.92 11.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.37 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.72 -20.22 7.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.221 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.831 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 136.67 148.35 5.48 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.118 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.897 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -65.34 -55.51 17.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.816 0.341 . . . . 0.0 110.745 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.897 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.8 pt-20 -66.96 -33.28 75.24 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.476 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -63.86 -27.72 69.36 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.93 176.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 58' ' ' GLY . 23.0 t -83.45 -40.4 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.568 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -52.15 -33.17 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.454 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.35 -30.12 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.622 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -84.82 -51.02 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.952 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD21 HG13 ' A' ' 62' ' ' VAL . 46.9 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.908 0.385 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.491 HG11 ' HB3' ' A' ' 32' ' ' ARG . 36.9 t -80.43 -38.29 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.732 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.63 74.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.236 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -57.45 -34.75 69.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 110.754 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 85' ' ' LEU . 2.6 tp -78.04 -30.31 49.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.578 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.4 mtt -61.99 -39.45 92.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.498 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -67.99 -43.0 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.709 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 84' ' ' ALA . 21.6 t -64.8 -24.01 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.038 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.4 mmt -81.36 -24.51 37.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.705 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -73.81 -32.87 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.683 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -50.08 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.405 ' HG2' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.22 -50.39 71.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.793 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 179.8 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.515 HG22 ' N ' ' A' ' 10' ' ' GLY . 7.5 p . . . . . 0 N--CA 1.47 0.527 0 CA-C-O 121.623 0.725 . . . . 0.0 112.426 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.515 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -101.2 -38.3 3.35 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.949 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 1.6 t90 -70.95 129.73 39.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.053 0.454 . . . . 0.0 110.515 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 18.3 m-20 -106.33 130.53 22.82 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.504 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 53.0 Cg_exo -54.81 149.81 39.76 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.337 2.025 . . . . 0.0 112.261 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 69.72 7.81 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.933 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -123.9 -60.25 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.23 -131.89 10.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.412 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' HB3' HD11 ' A' ' 22' ' ' LEU . 46.2 m-85 -98.01 145.39 26.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.884 0.373 . . . . 0.0 111.062 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.654 ' C ' HD13 ' A' ' 22' ' ' LEU . 4.7 t70 -103.23 58.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.21 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.811 ' N ' HD13 ' A' ' 22' ' ' LEU . 28.8 m -39.89 -31.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.119 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -54.52 -39.51 67.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.97 0.414 . . . . 0.0 110.41 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -122.85 26.02 8.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.39 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -53.11 153.15 3.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 -179.513 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.6 118.35 71.47 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -45.18 -29.16 3.99 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.588 2.192 . . . . 0.0 112.671 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' HB2' ' CD ' ' A' ' 63' ' ' ARG . 1.9 t0 -71.82 -61.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.976 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD13 ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -63.78 -28.47 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.074 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -33.69 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.432 . . . . 0.0 110.231 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.4 m -86.15 -30.35 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.29 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.752 HD11 HD11 ' A' ' 81' ' ' LEU . 10.1 tt -55.51 -29.79 59.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.465 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' HD1' HD12 ' A' ' 35' ' ' ILE . 18.0 m-85 -84.13 -48.35 9.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.743 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -57.43 -24.72 57.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.761 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.533 ' HB3' HG11 ' A' ' 82' ' ' VAL . 1.8 mtp85 -87.14 -25.17 24.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -92.68 14.41 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.6 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.85 38.69 89.48 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.878 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.632 HD12 HD21 ' A' ' 85' ' ' LEU . 19.6 mt -125.95 147.96 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.976 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.81 179.2 5.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.633 ' HG3' HG11 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -51.7 -40.81 60.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.82 -53.42 25.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.41 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -62.23 -30.58 71.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.408 HD21 ' CE1' ' A' ' 30' ' ' PHE . 82.2 mt -78.88 -41.35 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.2 p -66.77 -33.98 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.06 115.22 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -29.85 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -80.44 -50.09 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.427 HG22 HD11 ' A' ' 49' ' ' ILE . 2.7 m -67.46 -37.73 83.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -46.37 -59.36 3.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -38.56 82.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.239 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.627 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.9 tm? -61.1 -28.7 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.491 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.427 HD11 HG22 ' A' ' 45' ' ' THR . 56.4 mt -88.49 -25.63 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.732 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.81 -21.19 66.73 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.632 -178.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -61.58 -17.37 54.76 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 27.7 t80 -88.63 -60.39 1.97 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.744 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.73 HG21 ' HB2' ' A' ' 59' ' ' LEU . 3.0 mt -67.58 -17.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.869 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 2.3 tm-20 -83.16 -33.03 26.33 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.49 -28.18 20.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.323 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -63.59 -12.8 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.642 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.35 -21.94 23.36 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.996 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.945 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 142.66 148.68 5.01 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.322 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.918 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -65.82 -54.61 24.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.757 0.313 . . . . 0.0 110.837 -179.381 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.918 ' N ' HD23 ' A' ' 59' ' ' LEU . 1.5 pt-20 -65.16 -31.48 72.68 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 175.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -66.49 -27.41 67.76 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.986 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 58' ' ' GLY . 42.5 t -76.06 -37.22 33.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.401 177.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.448 ' CD ' ' HB2' ' A' ' 25' ' ' ASP . 20.4 mtm180 -53.0 -34.15 55.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.798 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.96 -24.12 66.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.533 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 66' ' ' MET . 7.5 tm-20 -84.76 -54.84 4.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.672 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.404 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 40.7 mtp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.752 HD11 HD11 ' A' ' 29' ' ' LEU . 2.1 pt? . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.963 0.411 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.533 HG11 ' HB3' ' A' ' 32' ' ' ARG . 39.7 t -50.24 -50.07 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.981 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.96 -28.9 54.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.295 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.48 -30.04 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.903 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.85 HD12 HG12 ' A' ' 88' ' ' VAL . 1.1 tp -68.88 -44.9 72.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 14.0 mtt -51.09 -24.1 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -75.73 -39.73 56.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.85 HG12 HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -63.18 -27.96 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 110.864 -179.429 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.441 ' SD ' HG13 ' A' ' 88' ' ' VAL . 46.9 mmm -80.35 -35.56 35.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -57.31 -27.09 61.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.423 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -67.24 -49.41 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.683 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -82.19 -23.49 35.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.044 179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.506 HG12 ' N ' ' A' ' 10' ' ' GLY . 24.5 t . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 121.036 0.446 . . . . 0.0 111.456 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.506 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -111.36 -31.77 2.73 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -65.78 104.76 1.12 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.18 0.514 . . . . 0.0 110.173 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.7 116.47 66.5 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -51.54 153.62 10.31 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.306 2.004 . . . . 0.0 112.329 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.17 0.96 3.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.771 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -128.62 -62.44 1.02 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.855 0.359 . . . . 0.0 110.738 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.39 -137.52 14.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.474 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.503 ' CE2' HD22 ' A' ' 40' ' ' LEU . 55.4 m-85 -77.55 176.21 9.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.47 55.61 0.86 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.87 HG12 HD13 ' A' ' 22' ' ' LEU . 22.0 m -47.56 -30.11 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.43 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -27.67 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.502 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -137.74 10.57 2.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.422 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -68.97 153.43 43.82 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.05 0.452 . . . . 0.0 111.418 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.45 144.93 87.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -72.46 -37.45 4.25 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.657 2.238 . . . . 0.0 112.22 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.91 -47.16 86.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.883 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.9 tm? -71.69 -30.91 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HG3' HD21 ' A' ' 22' ' ' LEU . 1.5 ttt180 -58.1 -37.66 74.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -32.34 65.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 29' ' ' LEU . 2.8 tt -53.88 -25.05 18.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.793 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CD1' HD12 ' A' ' 35' ' ' ILE . 26.9 m-85 -87.93 -54.69 4.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -51.38 -25.57 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.518 ' CB ' HG11 ' A' ' 82' ' ' VAL . 72.8 mtt180 -86.38 -38.79 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.58 -23.18 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.29 -20.0 10.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.674 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.712 HD11 HD22 ' A' ' 85' ' ' LEU . 22.0 mt -67.7 138.22 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 111.185 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.1 p -123.44 178.05 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.13 -35.84 27.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.21 75.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.604 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -77.39 -22.58 51.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD22 ' CE2' ' A' ' 17' ' ' PHE . 19.8 mt -88.08 -31.8 19.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.111 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 p -72.66 -35.31 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -71.98 113.11 8.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.68 96.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.995 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.63 -37.25 67.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.553 HG22 HD11 ' A' ' 49' ' ' ILE . 4.9 m -81.25 -37.69 28.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.003 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -54.95 -39.13 68.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.02 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -51.83 67.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.344 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 45' ' ' THR . 1.0 OUTLIER -66.22 -22.82 66.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.692 0.282 . . . . 0.0 111.013 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.553 HD11 HG22 ' A' ' 45' ' ' THR . 64.2 mt -88.15 -31.19 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.591 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.71 -20.96 66.63 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.08 -178.113 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.16 -17.68 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.417 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 85.1 t80 -85.93 -61.13 1.82 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.477 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.517 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -66.33 -18.45 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.772 179.185 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -83.61 -31.56 26.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 178.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -43.21 18.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.91 -178.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -55.5 -20.21 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.688 0.28 . . . . 0.0 111.318 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.82 -28.78 5.58 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.869 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.892 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 152.97 152.62 6.05 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.586 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.894 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER -64.06 -55.11 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 0.0 110.947 -179.145 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.894 ' N ' HD23 ' A' ' 59' ' ' LEU . 7.4 pt-20 -72.56 -29.09 63.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.511 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -66.85 -27.32 67.44 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.006 176.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 58' ' ' GLY . 11.0 t -71.12 -39.42 73.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.307 177.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -51.24 -31.5 21.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.812 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -72.0 -31.59 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.399 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.99 -47.7 9.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.994 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.518 HG11 ' CB ' ' A' ' 32' ' ' ARG . 46.6 t -76.17 -43.22 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.27 -26.48 63.95 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.266 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.87 -33.11 74.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.975 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.712 HD22 HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -74.35 -26.29 60.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.737 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.97 -39.09 90.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -68.62 -40.47 80.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.5 t -68.25 -20.82 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -28.5 55.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 0.0 110.525 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -58.69 -26.44 63.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.621 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -52.67 -40.73 63.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -75.63 -44.7 41.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.81 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.436 HG12 ' H ' ' A' ' 11' ' ' TRP . 45.5 t . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 120.998 0.428 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.7 -32.52 8.01 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.745 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.436 ' H ' HG12 ' A' ' 9' ' ' VAL . 6.6 t90 -79.15 136.05 37.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.98 0.419 . . . . 0.0 110.385 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -121.64 135.18 24.94 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.911 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 22.8 Cg_exo -63.3 71.22 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.378 2.052 . . . . 0.0 112.06 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -174.05 -76.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.953 -179.599 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.8 -49.06 67.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.4 -118.35 4.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.572 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.461 ' CD2' ' HA ' ' A' ' 40' ' ' LEU . 4.6 m-85 -88.19 158.21 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.953 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.541 ' C ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -109.4 39.8 2.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.423 179.015 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.75 HG23 HD22 ' A' ' 22' ' ' LEU . 11.7 p -45.55 -29.75 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.405 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -54.84 -48.13 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.011 0.434 . . . . 0.0 110.072 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -112.85 27.54 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.228 178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 19' ' ' VAL . 1.5 tp -52.83 136.82 33.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.077 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.58 142.14 85.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.7 -48.56 21.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.481 2.12 . . . . 0.0 112.206 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' CB ' ' HG3' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -58.09 -57.69 11.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.023 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.717 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -62.35 -27.77 69.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 3.9 mtp180 -64.68 -31.99 73.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.4 p -80.98 -31.94 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.465 HD11 ' HG ' ' A' ' 81' ' ' LEU . 5.4 tp -58.03 -23.1 52.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.781 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CE2' HD12 ' A' ' 26' ' ' LEU . 21.2 m-85 -84.76 -63.85 1.26 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.6 p -50.11 -25.7 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.733 ' CB ' HG21 ' A' ' 82' ' ' VAL . 61.3 mtt180 -84.59 -26.64 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.848 ' HB2' HG23 ' A' ' 82' ' ' VAL . . . -90.78 -22.54 20.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.6 -22.65 9.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.76 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.802 HD11 HD11 ' A' ' 85' ' ' LEU . 29.3 mt -66.2 152.15 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.162 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.6 -179.68 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.733 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -55.91 -34.92 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.31 69.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.446 ' CB ' HG23 ' A' ' 35' ' ' ILE . 5.8 mp0 -76.54 -35.35 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.996 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.526 HD13 HD21 ' A' ' 22' ' ' LEU . 21.5 mt -71.99 -45.45 60.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 37' ' ' GLU . 81.3 p -59.92 -32.15 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.13 99.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.813 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.69 -27.84 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.293 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.424 ' O ' HD13 ' A' ' 48' ' ' LEU . 48.7 mt-10 -77.96 -60.37 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.822 ' HA ' HD22 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -53.46 -25.7 17.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -55.94 -39.06 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.265 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -27.0 61.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.143 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.822 HD22 ' HA ' ' A' ' 45' ' ' THR . 2.8 mp -70.25 -40.24 74.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.511 0.672 . . . . 0.0 109.384 177.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.5 mt -88.78 -21.08 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.1 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -64.29 -24.8 67.79 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.104 -0.639 . . . . 0.0 110.468 -178.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.51 -19.71 39.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 87.7 t80 -89.39 -57.66 2.8 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.793 -179.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.713 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.8 mt -71.02 -18.87 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 1.6 tm-20 -83.79 -36.13 23.79 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.832 0.348 . . . . 0.0 110.828 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -89.43 -34.77 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.203 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -55.98 -19.67 13.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.315 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.92 -23.96 7.22 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.058 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.849 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 141.21 149.44 5.24 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.283 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.863 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -62.54 -55.47 27.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.418 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.863 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.7 pt-20 -74.17 -32.47 63.1 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.561 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -61.75 -26.35 68.02 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.997 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 58' ' ' GLY . 5.2 t -73.6 -40.46 54.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 25' ' ' ASP . 7.4 mtp180 -53.25 -30.63 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.975 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -70.34 -36.67 74.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.736 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.2 -45.41 12.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.52 ' HG2' HD23 ' A' ' 81' ' ' LEU . 2.6 mmm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.805 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.531 HD21 HG13 ' A' ' 62' ' ' VAL . 4.3 tp . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.911 0.386 . . . . 0.0 110.096 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.848 HG23 ' HB2' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -80.17 -39.21 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.075 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.445 ' HA2' ' CE ' ' A' ' 86' ' ' MET . . . -55.63 -25.69 43.85 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.323 -0.941 . . . . 0.0 111.298 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.66 -32.87 60.34 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.017 0.437 . . . . 0.0 110.443 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.802 HD11 HD11 ' A' ' 35' ' ' ILE . 1.8 tp -64.36 -34.85 79.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.18 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.445 ' CE ' ' HA2' ' A' ' 83' ' ' GLY . 48.8 mtt -52.04 -39.79 60.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.483 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -59.52 -61.44 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.724 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.18 -25.39 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.166 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 mmt -80.19 -33.83 37.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.815 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -62.92 -28.96 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -47.65 84.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -72.66 -54.96 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.525 HG22 ' N ' ' A' ' 10' ' ' GLY . 7.1 p . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.128 0.49 . . . . 0.0 111.548 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.525 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -104.21 -43.36 1.76 Allowed Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CE2' ' O ' ' A' ' 13' ' ' PRO . 48.8 t90 -71.16 115.93 10.88 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 173.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -157.34 78.97 3.59 Favored Pre-proline 0 N--CA 1.466 0.362 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -174.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' O ' ' CE2' ' A' ' 11' ' ' TRP . 70.9 Cg_endo -107.05 -88.86 0.0 OUTLIER 'Cis proline' 0 N--CA 1.44 -1.674 0 C-N-CA 125.698 -0.542 . . . . 0.0 110.835 -7.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.86 -7.09 31.37 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.63 -31.04 1.03 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.342 0.591 . . . . 0.0 109.928 178.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.22 162.63 14.41 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.822 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.529 ' CD2' HD22 ' A' ' 40' ' ' LEU . 50.5 m-85 -52.59 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.925 -0.637 . . . . 0.0 111.188 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.74 47.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.276 178.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.406 HG11 ' HG3' ' A' ' 37' ' ' GLU . 27.2 m -40.81 -38.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.834 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -54.79 -32.57 60.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.66 29.23 5.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.84 126.45 27.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.992 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 1.5 t0 -67.17 143.45 97.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 52.1 Cg_exo -54.9 -49.19 17.5 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.5 2.133 . . . . 0.0 112.288 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.472 ' CB ' ' CG ' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -51.05 -61.35 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.952 -179.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.591 ' O ' HD13 ' A' ' 26' ' ' LEU . 1.7 tm? -57.26 -43.57 83.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.617 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -27.75 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -86.17 -26.58 25.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.568 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.908 HD12 HG22 ' A' ' 82' ' ' VAL . 8.5 tp -65.35 -22.95 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.755 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.74 ' CD1' HD12 ' A' ' 35' ' ' ILE . 8.3 m-85 -86.16 -59.65 2.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.839 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.61 -31.46 16.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.7 ' HB3' HG11 ' A' ' 82' ' ' VAL . 67.9 mtt-85 -75.05 -24.49 58.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.43 -23.28 16.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.235 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.85 46.21 1.52 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.763 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.74 HD12 ' CD1' ' A' ' 30' ' ' PHE . 17.0 mt -125.67 155.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.941 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 35' ' ' ILE . 18.0 p -135.53 -178.66 5.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.275 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.631 ' O ' HG23 ' A' ' 41' ' ' THR . 1.5 tt0 -55.82 -46.17 78.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.051 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.54 -42.79 34.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.442 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -67.61 -32.29 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.542 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.529 HD22 ' CD2' ' A' ' 17' ' ' PHE . 17.0 mt -82.53 -24.88 33.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.054 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 37' ' ' GLU . 70.9 p -79.39 -36.32 39.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.962 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.57 137.85 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -41.34 22.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.358 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -38.83 75.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.062 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.574 ' HA ' HD23 ' A' ' 48' ' ' LEU . 24.8 m -73.24 -45.78 53.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.071 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 m -48.52 -26.61 2.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.225 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -56.45 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.078 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 45' ' ' THR . 1.6 pp -59.44 -32.08 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 45' ' ' THR . 48.3 mt -74.75 -37.04 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.481 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -63.54 -20.61 65.77 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.228 -177.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -59.59 -19.81 51.44 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.627 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CG ' ' OE1' ' A' ' 56' ' ' GLN . 12.3 t80 -89.87 -61.2 1.74 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.073 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -67.71 -19.48 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.053 -178.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.481 ' HG3' ' CE2' ' A' ' 50' ' ' TYR . 1.1 tm-20 -84.47 -28.8 26.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 111.041 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -90.06 -45.86 8.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.837 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 3.3 mp0 -55.19 -20.87 11.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 0.0 111.315 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.13 -32.62 2.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.208 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.796 ' HA3' ' HB3' ' A' ' 61' ' ' ALA . . . 150.77 160.5 9.41 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.833 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.648 HD23 ' N ' ' A' ' 60' ' ' GLU . 0.8 OUTLIER -63.94 -55.19 24.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.965 0.412 . . . . 0.0 110.643 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.648 ' N ' HD23 ' A' ' 59' ' ' LEU . 25.3 pt-20 -82.08 -34.29 29.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.796 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -57.91 -26.88 62.76 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.014 176.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 58' ' ' GLY . 1.7 t -72.07 -41.07 67.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CG ' ' CB ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -52.92 -34.99 57.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.097 178.467 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -65.65 -33.3 75.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.365 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -39.45 18.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.744 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.612 HD12 HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.598 0.237 . . . . 0.0 111.301 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.908 HG22 HD12 ' A' ' 29' ' ' LEU . 45.2 t -56.95 -37.2 53.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.808 0.337 . . . . 0.0 110.994 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.11 -33.31 78.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.668 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.73 -35.26 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.183 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -70.7 -44.63 66.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.742 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.6 mtt -45.39 -56.29 5.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.23 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -51.31 -61.49 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.39 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.0 t -47.32 -26.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.818 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.8 mmm -82.43 -23.72 34.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.719 0.295 . . . . 0.0 111.044 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -67.65 -24.79 65.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.838 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -31.77 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -74.8 -42.02 58.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.801 0.334 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 162.95 -173.17 39.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -133.34 162.44 31.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -92.87 129.96 38.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.64 151.25 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.678 HG21 ' H12' ' A' ' 108' ' ' WSK . 10.3 m -148.43 121.05 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.088 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.12 -15.26 51.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.434 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -83.82 6.69 20.46 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.955 HG23 ' H10' ' A' ' 108' ' ' WSK . 6.2 p -79.97 153.61 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.088 0.47 . . . . 0.0 111.035 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -96.92 -31.64 6.88 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.571 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.483 ' H ' HG22 ' A' ' 9' ' ' VAL . 3.7 t90 -87.85 151.45 22.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.863 0.363 . . . . 0.0 110.613 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -149.98 147.94 23.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.0 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.93 68.39 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.648 2.232 . . . . 0.0 112.295 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -159.69 -70.65 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.983 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -77.73 -70.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.76 -115.08 2.25 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.537 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 8.1 m-85 -102.95 129.69 49.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -95.52 67.54 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 20' ' ' ASN . 25.9 m -55.82 -41.09 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.402 ' N ' HG23 ' A' ' 19' ' ' VAL . 18.7 p30 -54.95 -30.35 58.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -129.2 27.64 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -63.61 130.7 45.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' OD1' ' HD2' ' A' ' 63' ' ' ARG . 0.9 OUTLIER -53.74 134.96 55.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -47.48 -58.71 1.58 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.475 2.117 . . . . 0.0 112.379 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.59 -57.82 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.541 ' HG ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -53.27 -36.31 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -48.91 68.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.2 m -69.92 -31.08 68.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.804 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.647 HD12 HG22 ' A' ' 82' ' ' VAL . 6.3 tp -58.4 -21.82 51.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' HD1' HD12 ' A' ' 35' ' ' ILE . 17.3 m-85 -93.48 -53.69 3.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.745 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -26.93 9.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.701 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.7 mtt-85 -78.14 -39.02 42.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.037 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' N ' ' CG1' ' A' ' 82' ' ' VAL . . . -75.82 -23.46 55.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.187 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.43 47.06 1.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.715 HD12 HD21 ' A' ' 85' ' ' LEU . 57.1 mt -125.74 138.89 53.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.733 0.301 . . . . 0.0 111.055 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.6 p -116.63 -179.6 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.169 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.679 ' O ' HG23 ' A' ' 41' ' ' THR . 1.2 mt-10 -59.76 -23.6 63.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.39 93.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.164 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.9 -24.25 38.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mt -90.37 -21.52 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.326 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 37' ' ' GLU . 77.1 p -94.49 33.64 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.131 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.13 117.66 15.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.12 -23.38 54.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -78.95 -42.4 26.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.066 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.569 HG22 HD11 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -85.54 -31.41 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.9 p -50.1 -36.14 28.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.24 -40.91 16.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.759 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.633 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.8 tm? -57.69 -32.5 67.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.717 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.569 HD11 HG22 ' A' ' 45' ' ' THR . 10.2 mt -88.04 -24.72 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.29 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.718 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -55.83 -21.74 21.29 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.374 -179.244 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -59.15 -18.6 37.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.67 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -87.14 -61.42 1.73 Allowed 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.165 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.602 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -63.51 -18.61 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.31 178.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.669 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 3.2 tm-20 -83.88 -48.59 9.87 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.99 0.424 . . . . 0.0 110.98 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -74.26 -34.92 63.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.526 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -55.7 -21.07 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.174 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.05 -22.11 9.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.265 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.933 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 142.05 141.39 3.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.62 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.99 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -56.52 -55.62 31.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 -179.36 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.908 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.2 pt-20 -70.41 -32.12 69.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.499 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -64.13 -21.96 66.75 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.839 177.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 58' ' ' GLY . 77.0 t -83.4 -37.92 13.93 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.451 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.406 ' HD2' ' OD1' ' A' ' 23' ' ' ASP . 9.3 mtp85 -46.98 -44.82 20.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.17 -24.83 66.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.712 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -84.24 -48.57 9.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -34.71 58.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.646 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -28.79 70.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.805 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.11 -35.49 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -96.3 68.59 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.68 -160.64 23.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -136.55 -95.73 0.43 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.5 m -132.82 59.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.26 -134.26 26.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.48 -104.41 2.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 t 176.91 49.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.1 mp0 -118.05 104.11 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.5 t 61.3 120.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.5 m -93.44 -24.74 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.041 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -66.62 -160.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 81' ' ' LEU . . . 60.59 103.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.893 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 80' ' ' GLY . 12.4 tp 80.33 -54.06 0.36 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.634 0.254 . . . . 0.0 111.099 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.701 HG11 ' HB3' ' A' ' 32' ' ' ARG . 19.5 t -75.59 -33.45 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.752 0.31 . . . . 0.0 111.184 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.14 -21.9 57.2 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.585 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.35 -42.46 22.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.833 ' O ' HD12 ' A' ' 85' ' ' LEU . 3.9 tp -61.88 -24.95 67.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.782 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 mtt -71.23 -29.62 65.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.081 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -78.94 -27.01 43.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.2 t -72.57 -27.66 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 51.5 mmm -83.01 -24.6 32.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.65 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -60.55 -32.74 71.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.64 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -59.07 -42.42 90.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.75 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -78.89 -28.53 44.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.027 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.7 m -68.04 -37.73 81.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.977 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -64.22 -25.04 67.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.28 121.17 32.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.662 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.0 mp -93.85 -54.6 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.762 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.465 ' CD2' ' O ' ' A' ' 96' ' ' ILE . 8.4 m-70 -176.48 46.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.81 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -85.96 -29.38 23.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.5 p -58.5 -36.95 74.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -104.59 42.16 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -97.11 123.08 40.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.8 67.61 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -73.02 126.19 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.982 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.9 -19.71 10.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.426 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -72.56 136.71 45.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 111.007 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -119.93 135.05 55.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.469 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 0.99 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.0 p . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.761 0.315 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.43 38.19 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -70.28 82.29 0.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.769 0.319 . . . . 0.0 110.98 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -142.82 98.7 3.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.868 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -108.3 102.33 11.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 m -123.8 137.63 56.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.9 m -60.6 -41.63 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 74.69 76.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.675 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.707 HG23 ' H10' ' A' ' 108' ' ' WSK . 3.7 p -167.87 149.49 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.07 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' HA3' 'BR2 ' ' A' ' 108' ' ' WSK . . . -76.23 -40.73 28.25 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.178 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.54 ' H ' HG22 ' A' ' 9' ' ' VAL . 3.5 t90 -76.0 135.66 39.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.833 0.349 . . . . 0.0 110.454 178.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -125.36 135.79 27.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 35.3 Cg_exo -57.55 85.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.458 2.105 . . . . 0.0 112.272 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 172.92 -77.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -68.39 -46.71 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.977 -179.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.25 -101.01 2.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.54 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 14.8 m-85 -102.62 153.02 20.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.796 0.331 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -114.31 64.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.709 ' HA ' HD12 ' A' ' 22' ' ' LEU . 34.2 m -53.07 -29.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -72.34 -29.94 64.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -123.49 34.21 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.012 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -76.15 136.79 39.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.989 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.59 148.85 95.35 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.992 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.13 -60.02 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.446 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 3.4 m-20 -54.38 -51.79 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD12 HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -55.89 -43.0 76.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -44.28 75.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.06 -25.69 59.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.766 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.901 HD12 HG22 ' A' ' 82' ' ' VAL . 8.0 tp -65.13 -22.03 66.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.438 ' HZ ' HD11 ' A' ' 53' ' ' ILE . 13.2 m-85 -90.61 -53.5 4.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.962 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -21.31 49.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.747 ' HB3' HG11 ' A' ' 82' ' ' VAL . 3.9 mtt180 -81.07 -24.67 37.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.042 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.59 -23.16 17.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.075 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.37 30.31 4.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.721 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' A' ' 85' ' ' LEU . 22.8 mt -107.63 132.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.019 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.4 169.45 8.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.179 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.64 ' HG3' HG11 ' A' ' 19' ' ' VAL . 5.9 tt0 -52.14 -46.3 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.018 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.85 -38.64 22.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -76.98 -24.48 52.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.5 mt -80.57 -32.34 36.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.959 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 37' ' ' GLU . 19.1 p -69.7 -46.74 65.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.29 116.21 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.065 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.11 -52.42 65.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.002 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -53.71 -48.52 69.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.669 HG22 ' CD1' ' A' ' 49' ' ' ILE . 32.5 m -67.21 -37.08 83.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.859 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -52.76 -52.8 55.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.679 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -66.15 -34.6 78.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.563 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.76 -37.94 88.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.835 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.669 ' CD1' HG22 ' A' ' 45' ' ' THR . 18.1 mt -87.34 -20.53 7.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.509 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.741 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -59.94 -20.54 58.03 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.724 -178.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.09 -17.79 42.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.83 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CG ' ' HG ' ' A' ' 85' ' ' LEU . 60.4 t80 -86.31 -62.0 1.61 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.557 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.55 HG21 ' CD1' ' A' ' 59' ' ' LEU . 14.1 mt -64.25 -17.74 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.607 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.749 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 1.6 tt0 -82.95 -24.37 33.03 Favored 'General case' 0 CA--C 1.527 0.061 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.121 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -83.56 -47.15 11.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.723 ' HB3' HG22 ' A' ' 62' ' ' VAL . 6.1 mp0 -55.74 -23.74 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.14 -24.97 11.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.56 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.895 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 158.31 -169.69 34.91 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.601 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.031 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 1.2 mp -84.7 -54.75 4.5 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.915 0.358 . . . . 0.0 110.308 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -61.46 -30.89 70.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 173.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.538 ' HB3' ' N ' ' A' ' 58' ' ' GLY . . . -61.09 -39.36 89.63 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.495 176.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 58' ' ' GLY . 92.9 t -83.73 -53.89 10.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.887 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.446 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 16.0 mtm180 -47.17 -26.69 1.2 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.073 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.39 -28.55 46.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.283 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.22 -58.44 2.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.645 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.41 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -62.95 -14.37 46.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.567 -178.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -52.0 -39.52 59.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.842 0.354 . . . . 0.0 110.677 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 172.17 40.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.778 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -104.74 145.94 29.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.52 61.89 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.44 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.68 -101.11 2.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -114.61 28.9 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.73 -52.98 1.12 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 49.07 -117.63 4.38 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.654 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 77' ' ' SER . 1.2 m 77.7 41.08 0.14 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.401 . . . . 0.0 110.309 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -62.13 79.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.004 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 75' ' ' SER . 3.5 m 60.56 90.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 52.85 -163.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 63.51 -178.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.99 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.09 6.53 31.92 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.762 -0.733 . . . . 0.0 113.082 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD21 HG13 ' A' ' 62' ' ' VAL . 26.9 tp 171.89 -33.73 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 110.395 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.901 HG22 HD12 ' A' ' 29' ' ' LEU . 58.5 t -72.36 -29.68 32.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.946 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.83 -31.52 72.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.304 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.35 -51.75 54.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.82 0.343 . . . . 0.0 110.836 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 85' ' ' LEU . 1.8 tt -53.0 -34.13 54.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.724 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 51.2 mtt -53.12 -43.69 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -62.58 -40.99 98.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.638 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.55 -22.9 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.127 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.89 -26.71 31.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.549 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -61.57 -26.41 67.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.709 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -62.99 -50.74 69.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -56.42 -43.1 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.3 m -57.1 -44.81 83.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -47.73 78.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.31 101.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.388 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.6 mm -84.29 -42.57 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -75.7 88.56 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.967 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -37.16 84.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.744 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 t -66.64 -38.18 86.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.748 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 50.31 34.47 8.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.034 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -139.11 71.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -155.39 104.73 0.26 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.423 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -114.19 -20.89 10.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.669 0.271 . . . . 0.0 111.24 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.95 172.71 12.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 0.0 110.974 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.07 -33.11 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.61 111.52 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.461 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 1.031 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.68 -57.46 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.589 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -100.25 137.1 39.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -57.74 124.05 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.67 97.38 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.446 HG22 ' H ' ' A' ' 8' ' ' HIS . 13.2 p -178.93 144.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.114 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.1 m -48.77 -27.28 2.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 110.784 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.446 ' H ' HG22 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 64.71 49.43 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.401 179.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.841 HG23 ' H10' ' A' ' 108' ' ' WSK . 4.6 p -51.71 150.8 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.828 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.48 -36.37 7.48 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.049 -0.596 . . . . 0.0 112.081 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.563 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 8.1 t90 -77.42 153.36 33.71 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.211 0.529 . . . . 0.0 110.591 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' CB ' ' HB2' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -133.3 144.78 53.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.381 178.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -57.4 -15.84 20.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.662 2.242 . . . . 0.0 112.848 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -116.64 -52.39 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 111.336 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 12' ' ' ASP . 9.6 m-80 -47.53 -46.57 27.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.15 -159.8 30.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.511 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.533 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 4.5 m-85 -74.57 154.02 38.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.879 0.371 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.96 46.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.642 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.613 HG21 ' HG3' ' A' ' 37' ' ' GLU . 10.9 p -52.25 -24.78 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.28 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -54.99 -44.67 74.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.563 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -133.74 47.46 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.596 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -61.37 129.27 40.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.001 -179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.67 144.32 25.52 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.176 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.14 -54.87 4.01 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.515 2.143 . . . . 0.0 112.119 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -41.36 74.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.673 HD23 ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -72.82 -42.34 63.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -55.19 -26.11 37.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.693 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -86.43 -27.86 23.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.392 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.655 ' CD1' HG22 ' A' ' 82' ' ' VAL . 7.3 tp -65.43 -21.88 66.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.865 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -90.58 -59.58 2.14 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.98 0.419 . . . . 0.0 110.951 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -48.83 -33.71 11.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.079 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.597 ' HB3' HG11 ' A' ' 82' ' ' VAL . 5.4 mtt180 -72.87 -37.44 67.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.423 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -77.37 -23.07 50.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.211 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.92 47.49 2.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.581 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.693 HD11 HD11 ' A' ' 85' ' ' LEU . 27.6 mt -122.93 140.53 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.93 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -109.36 -176.16 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.613 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.1 mt-10 -65.91 -35.84 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.59 -50.09 33.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.319 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.4 -33.19 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.43 -43.7 66.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.958 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.7 p -70.98 -32.15 68.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.71 109.46 2.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.25 68.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.41 -36.29 82.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.84 -29.41 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.715 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 50' ' ' TYR . 4.5 p -51.1 -57.71 7.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -60.37 -28.88 68.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.207 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.624 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.9 tm? -73.82 -34.51 64.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.29 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.1 mt -88.09 -20.7 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.155 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.694 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -67.03 -22.72 65.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.649 -179.059 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.71 -17.88 50.85 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 77.7 t80 -88.53 -57.39 2.93 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.542 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.659 HG21 ' HB2' ' A' ' 59' ' ' LEU . 1.5 mt -70.18 -18.88 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.764 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.65 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 12.5 tm-20 -84.25 -36.16 22.89 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.82 0.343 . . . . 0.0 111.046 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -81.08 -41.37 22.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.628 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -55.54 -20.71 14.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.755 0.312 . . . . 0.0 111.222 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.62 -28.35 5.74 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.121 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.876 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 153.17 149.18 5.09 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.968 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -59.71 -55.47 33.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.809 0.337 . . . . 0.0 110.988 -179.528 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.894 ' N ' HD23 ' A' ' 59' ' ' LEU . 8.7 pt-20 -74.15 -33.8 63.63 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.585 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -58.67 -26.71 64.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.478 -1.237 . . . . 0.0 110.034 176.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 58' ' ' GLY . 36.5 t -79.49 -39.3 20.47 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.428 176.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.4 ttt-85 -53.65 -31.4 47.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.123 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -77.1 -29.73 54.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.494 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -84.01 -46.15 12.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.759 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.68 -35.96 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.763 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -71.13 -43.59 67.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.75 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.26 -32.17 66.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.92 95.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.24 -127.01 8.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.542 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 61.59 -175.08 6.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.65 47.26 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.66 -23.44 30.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -76.41 151.82 40.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.626 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.7 t -133.86 43.58 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -87.29 145.4 26.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.5 p -137.32 119.03 15.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.68 148.79 36.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HB3' ' HE3' ' A' ' 86' ' ' MET . 25.8 mt-10 -73.84 66.52 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.001 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.0 -106.24 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.367 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.5 pt? -56.66 -27.4 58.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.658 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.655 HG22 ' CD1' ' A' ' 29' ' ' LEU . 46.6 t -63.37 -42.29 95.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.664 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.86 79.18 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.028 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -55.56 -38.4 69.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.649 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 35' ' ' ILE . 5.1 tp -67.28 -38.44 85.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.389 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.4 ' HE3' ' HB3' ' A' ' 79' ' ' GLU . 27.9 mtt -57.39 -40.42 78.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -68.69 -36.71 78.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.982 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 84' ' ' ALA . 58.6 t -62.23 -30.42 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 68.2 mmm -79.19 -31.64 43.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -68.9 -32.45 72.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.71 -34.32 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.1 tpt85 -77.28 -36.26 54.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.717 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.86 -52.91 46.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.718 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -86.38 -47.07 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.793 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 59.86 112.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.152 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -111.77 -25.49 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -69.87 63.81 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.0 t -84.42 -25.34 29.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.16 -26.54 63.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.94 -69.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -95.92 -77.1 0.49 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.964 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 56.54 85.85 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.57 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -106.35 148.05 28.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.44 -176.01 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -71.86 -41.25 68.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -51.52 123.05 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.551 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 0.968 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.857 0.361 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.45 -67.59 0.49 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.93 121.34 15.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.887 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -140.71 90.08 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' A' ' 5' ' ' HIS . 8.1 p80 -54.35 115.87 2.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.6 m -148.9 129.14 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.184 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.0 t -81.79 -27.67 33.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.417 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER 71.69 88.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.186 179.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.701 HG13 ' H10' ' A' ' 108' ' ' WSK . 89.1 t -158.65 149.1 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.556 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -84.93 -31.7 22.87 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.88 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.58 ' H ' HG12 ' A' ' 9' ' ' VAL . 2.3 t90 -86.79 148.08 25.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.68 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -146.16 152.83 47.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.81 63.0 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.656 2.237 . . . . 0.0 112.308 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -162.61 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.09 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -58.53 -50.21 74.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.96 -93.8 1.8 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 3.4 m-85 -119.49 115.7 24.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.972 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.52 68.26 10.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 22' ' ' LEU . 30.6 m -55.96 -30.13 27.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 9.1 p30 -59.88 -42.04 92.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.032 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -120.99 36.18 4.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.701 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -66.24 125.84 26.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.775 179.67 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.59 138.53 60.94 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.886 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.24 -56.83 2.39 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.504 2.136 . . . . 0.0 112.296 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.53 -51.74 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.087 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -68.3 -26.94 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.693 179.571 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -55.72 -43.32 76.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.797 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 m -75.42 -26.94 58.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.761 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' CD1' ' HG ' ' A' ' 81' ' ' LEU . 4.4 tp -67.02 -17.58 64.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.192 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.787 ' HD1' HD12 ' A' ' 35' ' ' ILE . 9.8 m-85 -101.41 -60.23 1.56 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.885 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -50.06 -29.7 9.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -77.7 -31.51 52.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.192 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.96 -23.07 41.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.225 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.94 52.42 0.79 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.582 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.787 HD12 ' HD1' ' A' ' 30' ' ' PHE . 21.1 mt -128.23 137.48 57.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.775 ' O ' HD22 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -125.29 166.08 17.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.98 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.682 ' O ' HG23 ' A' ' 41' ' ' THR . 0.3 OUTLIER -45.29 -39.13 6.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.335 -179.602 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.65 -33.53 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.4 -56.75 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.776 HD11 HG21 ' A' ' 35' ' ' ILE . 0.4 OUTLIER -59.32 -47.08 86.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.633 -179.189 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 37' ' ' GLU . 66.7 p -50.13 -27.06 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.991 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -80.89 122.48 27.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.1 94.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.89 -38.34 90.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.585 HG22 HD11 ' A' ' 49' ' ' ILE . 88.7 m -72.2 -29.75 64.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.4 m -62.4 -57.96 9.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.73 -48.98 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.634 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.4 tm? -54.22 -35.18 62.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 45' ' ' THR . 21.0 mt -88.36 -22.09 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.494 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.722 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -58.9 -20.42 51.34 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.691 -179.246 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -18.28 32.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.504 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' HE1' ' HB3' ' A' ' 84' ' ' ALA . 91.3 t80 -86.0 -61.58 1.72 Allowed 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.535 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 59' ' ' LEU . 1.1 mt -64.64 -17.95 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.632 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.676 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 7.4 tm-20 -83.45 -41.32 18.19 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.931 0.396 . . . . 0.0 110.77 178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -77.86 -34.64 51.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.128 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -55.85 -20.6 16.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.21 -19.36 13.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.339 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.949 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 141.37 137.48 3.41 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.246 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.996 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -56.28 -55.48 32.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.736 0.303 . . . . 0.0 111.329 -179.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.915 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -69.53 -31.49 69.73 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.5 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.428 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -64.78 -25.49 67.94 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.441 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 58' ' ' GLY . 88.4 t -83.89 -36.22 11.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.178 178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 ttp85 -46.43 -27.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 60' ' ' GLU . 2.9 mp0 -62.07 -42.69 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.714 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.93 -48.53 13.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -52.73 -25.65 11.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -59.97 -39.96 87.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -173.62 78.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -72.95 179.36 3.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 138.73 150.45 5.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.43 -127.34 1.03 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 56.4 m -138.26 170.43 16.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.44 -37.89 2.25 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.588 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.39 57.79 0.66 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.545 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 m -121.16 47.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -60.49 105.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m 63.73 94.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.5 p -166.17 141.51 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.35 82.13 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.89 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.85 -87.36 0.68 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 81' ' ' LEU . 15.8 tp -51.72 -25.75 7.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.73 0.3 . . . . 0.0 110.979 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.441 HG22 HD12 ' A' ' 29' ' ' LEU . 61.4 t -85.96 -42.37 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.192 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -50.03 -42.01 38.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.461 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -52.95 -40.12 63.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 0.0 110.974 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 85' ' ' LEU . 2.5 tp -66.93 -41.73 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.3 mtt -52.72 -27.21 16.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.859 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.405 ' O ' ' HG3' ' A' ' 90' ' ' GLN . 29.3 m170 -78.5 -21.26 49.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.075 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.0 t -89.22 -20.5 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.408 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.413 ' CE ' HD11 ' A' ' 49' ' ' ILE . 1.8 mmt -81.27 -26.17 35.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -70.01 -31.03 68.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -56.87 -29.18 62.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.992 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -81.18 -53.22 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.599 ' O ' HD11 ' A' ' 96' ' ' ILE . 2.9 p -60.26 -24.31 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.4 -27.42 15.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 91' ' ' LYS . . . -48.87 -90.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.757 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.599 HD11 ' O ' ' A' ' 93' ' ' SER . 4.4 mp 56.69 94.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.712 -178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -47.87 108.37 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.125 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.1 t -85.01 -24.64 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 m -60.95 -52.24 65.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 t70 71.16 -62.64 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -99.79 168.56 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.09 -65.27 1.17 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -99.95 94.98 6.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -76.86 112.28 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.041 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.4 159.77 31.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.71 144.31 42.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.042 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.508 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 0.996 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.837 0.351 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.16 138.55 18.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.576 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -97.23 137.79 35.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.83 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -151.54 99.17 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.465 ' CD2' ' N ' ' A' ' 5' ' ' HIS . 2.8 m170 -88.61 109.97 20.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.79 101.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.208 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.8 -47.91 70.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 74.71 120.39 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.986 HG23 ' H10' ' A' ' 108' ' ' WSK . 3.4 p -119.02 152.53 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.829 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.23 -40.08 7.1 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.993 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.43 ' CD1' ' HA2' ' A' ' 16' ' ' GLY . 6.4 t90 -69.77 146.86 51.12 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.119 0.485 . . . . 0.0 110.416 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -120.37 160.72 42.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.769 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -73.94 -0.15 9.11 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.843 2.362 . . . . 0.0 112.967 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -113.38 -84.38 0.59 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.706 0.289 . . . . 0.0 111.138 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -49.4 -64.52 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.976 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' HA2' ' CD1' ' A' ' 11' ' ' TRP . . . 112.14 -97.83 0.94 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.694 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.542 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 11.6 m-85 -93.83 132.51 38.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.272 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -91.81 51.2 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.142 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.796 HG21 ' HG3' ' A' ' 37' ' ' GLU . 7.2 p -44.82 -27.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.814 -178.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.06 -54.62 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.56 42.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -68.42 127.25 32.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.14 136.46 80.68 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.732 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -51.58 -51.62 10.78 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.414 2.076 . . . . 0.0 112.17 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -51.08 -53.09 37.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.76 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -67.03 -39.87 87.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.68 179.544 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -57.55 -32.12 66.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.4 m -79.52 -27.32 41.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.393 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.811 HD23 ' O ' ' A' ' 29' ' ' LEU . 3.5 tt -64.12 -29.03 70.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.704 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.748 ' HD1' HD12 ' A' ' 35' ' ' ILE . 17.9 m-85 -82.95 -55.84 4.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.836 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.22 -25.88 4.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.96 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.891 ' HB3' HG11 ' A' ' 82' ' ' VAL . 2.4 mtt85 -84.84 -43.68 13.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.984 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.88 -22.64 65.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.282 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.0 40.36 2.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.563 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.748 HD12 ' HD1' ' A' ' 30' ' ' PHE . 24.9 mt -119.64 147.74 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.7 p -120.27 -177.14 3.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.191 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.796 ' HG3' HG21 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -58.53 -39.06 79.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.03 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.75 -49.69 47.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.36 -36.86 83.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' HA ' ' CD2' ' A' ' 17' ' ' PHE . 36.6 mt -74.33 -45.44 47.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 p -63.45 -44.84 93.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.117 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.09 104.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.005 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.44 -32.25 57.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -59.26 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.779 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -61.31 -31.03 70.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 50' ' ' TYR . 67.7 m -51.11 -58.97 4.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.588 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -56.49 -36.22 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.201 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.4 tm? -66.62 -33.68 76.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.274 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 56.9 mt -87.82 -22.85 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.04 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.71 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -65.17 -21.54 66.79 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.699 -178.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 55' ' ' ASP . 32.8 t70 -59.78 -17.79 38.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 175.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 62.4 t80 -89.32 -61.34 1.72 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.784 HG21 ' HB2' ' A' ' 59' ' ' LEU . 5.6 mt -64.08 -18.24 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.148 -179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.709 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 1.5 tm-20 -80.21 -50.33 10.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.944 0.402 . . . . 0.0 110.879 178.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -60.37 -44.12 95.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.833 -178.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.48 -20.05 11.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.355 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.446 ' O ' ' H19' ' A' ' 108' ' ' WSK . . . 115.45 -26.55 9.0 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.797 . . . . 0.0 111.967 -179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.923 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 156.08 147.93 4.89 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.654 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.988 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -60.14 -54.93 40.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.885 0.374 . . . . 0.0 110.704 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.919 ' N ' HD23 ' A' ' 59' ' ' LEU . 3.2 pt-20 -69.85 -32.71 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.522 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -62.24 -27.74 69.21 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.932 176.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 58' ' ' GLY . 54.3 t -77.23 -40.36 29.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.522 177.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -52.15 -30.04 24.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.159 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -68.25 -30.4 69.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.631 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.88 -53.36 5.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.012 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -44.5 58.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.9 ttt85 -62.95 -24.95 68.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -148.66 63.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.002 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -73.77 140.63 46.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.23 -82.04 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.563 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.41 -128.97 1.82 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.508 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.07 149.66 39.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.68 69.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.548 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 62.3 -175.58 6.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.53 66.52 0.74 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.837 0.351 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 -100.34 79.01 2.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.018 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 p -172.84 111.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.1 p -72.66 -162.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -73.79 65.61 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.37 -70.86 1.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.431 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 tp -55.87 -40.96 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 110.783 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.891 HG11 ' HB3' ' A' ' 32' ' ' ARG . 58.8 t -74.44 -34.29 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.991 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.5 -30.62 71.02 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.342 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -58.74 -24.74 62.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.341 . . . . 0.0 111.048 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.661 HD22 HD11 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -83.74 -44.66 14.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.811 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 11.8 mtt -52.1 -24.94 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -85.05 -31.66 23.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.053 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 84' ' ' ALA . 22.1 t -73.31 -25.59 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.258 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 76.9 mmm -82.03 -24.94 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -70.07 -38.43 75.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -52.8 -45.94 67.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.13 -47.53 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 t -50.39 -55.98 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.212 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -75.69 -54.16 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.061 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.46 101.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.262 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.9 mm -75.08 -31.7 25.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -129.4 115.89 18.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.23 -36.42 74.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.009 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.82 -60.35 2.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 t0 69.19 -66.58 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -174.04 102.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 119.73 143.28 6.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.424 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 179.43 97.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -117.25 139.66 50.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -130.18 159.44 36.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.14 97.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.325 -1.264 . . . . 0.0 112.491 -179.867 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 0.988 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.813 0.34 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.68 -31.06 70.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.45 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.59 135.22 46.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -147.48 92.91 2.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -62.44 108.79 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.12 137.17 25.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.47 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 15.0 t -76.9 -32.56 57.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.473 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 40.9 p-80 45.68 55.39 6.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.968 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.694 HG23 ' H10' ' A' ' 108' ' ' WSK . 7.9 p -108.22 151.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.568 -178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.1 -28.7 9.05 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.732 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.57 ' H ' HG22 ' A' ' 9' ' ' VAL . 4.2 t90 -82.44 141.17 32.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.948 0.404 . . . . 0.0 110.912 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -143.8 137.89 14.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.747 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 52.3 Cg_exo -55.25 84.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.575 2.183 . . . . 0.0 112.373 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -176.32 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -103.59 -55.44 2.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.28 -98.7 1.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.33 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.575 ' HE2' HD11 ' A' ' 53' ' ' ILE . 21.1 m-85 -103.97 175.7 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.857 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -139.34 33.78 2.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.666 HG21 ' HG3' ' A' ' 37' ' ' GLU . 14.7 p -39.91 -30.67 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.958 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -66.92 -49.32 65.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.949 0.404 . . . . 0.0 110.734 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.61 32.71 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.358 179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD11 ' HB3' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -103.92 139.19 39.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.511 -179.201 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.745 ' N ' HD12 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -51.42 167.81 0.29 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.527 -178.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -79.56 -38.25 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.797 2.331 . . . . 0.0 112.39 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.15 -51.26 55.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.697 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.848 ' HB3' HD11 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -69.53 -25.93 64.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.72 179.278 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.6 -56.81 6.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.794 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 m -60.02 -32.45 70.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.699 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.958 HD12 HG22 ' A' ' 82' ' ' VAL . 10.9 tp -56.71 -22.89 38.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.895 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' HD1' HD12 ' A' ' 35' ' ' ILE . 31.4 m-85 -94.89 -55.61 3.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.038 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.21 -24.95 3.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -83.36 -24.86 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.08 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.458 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -85.77 -23.22 27.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.196 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.22 33.72 2.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.603 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.729 HD12 HD21 ' A' ' 85' ' ' LEU . 61.6 mt -122.78 135.02 64.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 110.923 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -103.42 178.76 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.666 ' HG3' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -61.0 -39.19 88.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.18 -46.35 45.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.168 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -34.81 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 48.4 mt -72.33 -23.51 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.7 p -99.68 40.1 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.91 134.73 49.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.929 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.17 -36.07 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -79.38 -31.99 43.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.959 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.4 m -86.09 -24.86 26.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -59.32 -57.89 11.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.031 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -55.84 -27.3 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.955 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.6 tm? -74.59 -34.38 62.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.651 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.7 mt -88.39 -25.72 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.828 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.717 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -56.12 -20.85 19.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.751 -178.433 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.86 -17.83 39.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.717 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.446 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 60.9 t80 -85.65 -61.36 1.78 Allowed 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.453 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' A' ' 59' ' ' LEU . 1.6 mt -64.37 -17.5 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.584 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.706 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 0.9 OUTLIER -83.35 -47.94 10.93 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.829 0.347 . . . . 0.0 111.02 179.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -38.33 80.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.344 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -55.92 -20.26 15.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.227 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.87 -26.89 8.59 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.298 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.924 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 154.36 141.69 3.3 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.59 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.992 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -56.43 -55.19 36.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.882 0.372 . . . . 0.0 111.069 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.927 ' N ' HD23 ' A' ' 59' ' ' LEU . 9.7 pt-20 -70.28 -33.7 71.89 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.495 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -62.39 -22.44 66.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.621 177.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 58' ' ' GLY . 62.8 t -83.43 -47.93 17.76 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.671 179.143 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -46.95 -27.19 1.19 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.86 -30.39 67.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -84.04 -50.89 7.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.419 ' CE ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -51.46 -28.25 12.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.005 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -75.17 -36.92 61.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -57.2 -57.26 13.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -133.34 172.0 13.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.965 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -165.47 -101.49 0.16 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -158.2 -179.41 33.06 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.3 t -173.71 73.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -167.94 -61.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.538 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.18 -161.88 12.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 p -144.77 45.1 1.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.368 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -124.14 -83.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.118 0.485 . . . . 0.0 111.066 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.9 m -119.09 145.01 46.28 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.013 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -105.49 -23.74 12.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 78' ' ' SER . 0.6 OUTLIER 67.37 179.06 0.23 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.004 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.45 -102.23 1.83 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.444 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.8 tp -58.29 -41.76 85.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 110.806 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.958 HG22 HD12 ' A' ' 29' ' ' LEU . 21.2 t -79.96 -30.37 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.004 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.43 -39.63 84.14 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.446 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.63 85.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 111.078 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.729 HD21 HD12 ' A' ' 35' ' ' ILE . 2.8 tp -56.85 -42.7 80.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.96 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.8 mtt -52.04 -32.01 32.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -75.87 -20.91 57.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.237 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 31.2 t -86.71 -20.53 7.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.617 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -82.58 -37.67 24.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.787 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -52.12 -35.64 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -67.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.071 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -44.73 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.97 -31.44 3.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.317 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.41 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 48.35 80.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.266 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.8 mm -111.49 -43.62 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.029 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.4 ' CG ' ' O ' ' A' ' 97' ' ' HIS . 19.7 p80 -149.9 55.87 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.63 -25.96 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 p -55.18 -35.08 64.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -114.78 67.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -128.1 -174.96 3.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 79.8 31.47 39.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -112.14 -74.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.988 0.423 . . . . 0.0 111.014 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -111.37 46.16 1.13 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -117.07 152.59 34.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -129.45 112.97 14.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.134 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.524 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 0.992 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.63 161.4 22.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -74.37 143.25 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 133.33 51.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -99.19 102.1 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 6' ' ' VAL . 26.2 m -83.86 123.52 38.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.1 m -71.8 -35.15 69.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.035 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.1 78.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.179 0.514 . . . . 0.0 110.922 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.545 ' HB ' ' H10' ' A' ' 108' ' ' WSK . 3.1 p -63.37 157.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -93.84 -42.11 4.21 Favored Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.237 178.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.425 ' N ' HG22 ' A' ' 9' ' ' VAL . 21.8 t90 -64.48 130.39 43.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.007 0.432 . . . . 0.0 110.419 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -115.59 128.19 26.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.018 -179.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 24.5 Cg_exo -62.63 72.32 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.445 2.096 . . . . 0.0 112.123 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER 177.04 -61.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.787 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.59 -48.93 58.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.736 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.8 -124.8 6.65 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.59 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.542 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 1.7 m-85 -92.02 141.06 29.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.036 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -91.88 51.01 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.473 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 22' ' ' LEU . 7.8 p -54.65 -29.72 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.459 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -57.27 -44.94 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.004 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.49 43.37 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -71.4 139.1 49.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.992 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' OD1' ' HD2' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -67.27 131.52 93.41 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.732 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.404 ' HD2' ' OD1' ' A' ' 23' ' ' ASP . 71.0 Cg_exo -50.65 -42.84 48.57 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.422 2.081 . . . . 0.0 112.386 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -58.59 6.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.753 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.769 ' O ' HD13 ' A' ' 26' ' ' LEU . 3.2 tm? -58.91 -36.67 75.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.731 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -54.69 -49.91 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.672 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.52 -27.51 67.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.423 HD13 ' HE1' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -60.14 -24.81 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.714 179.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' HD1' HD12 ' A' ' 35' ' ' ILE . 13.4 m-85 -85.24 -63.69 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 m -50.27 -25.64 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.995 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.512 ' HB3' HG11 ' A' ' 82' ' ' VAL . 12.0 mtp180 -80.78 -31.44 35.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.2 -23.15 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.43 39.74 1.32 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.635 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.508 HD12 ' HD1' ' A' ' 30' ' ' PHE . 21.4 mt -127.59 155.01 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.44 ' N ' HG22 ' A' ' 35' ' ' ILE . 1.8 m -132.59 178.93 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.701 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.5 tt0 -55.76 -43.08 76.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.905 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.89 -33.29 16.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.97 -34.44 51.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.018 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.8 -33.68 60.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.979 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 37' ' ' GLU . 66.4 p -67.72 -25.89 65.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.65 114.92 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -47.42 85.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.74 -37.15 86.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.522 HG22 HD11 ' A' ' 49' ' ' ILE . 30.9 m -75.88 -24.97 55.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.043 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 p -67.67 -34.79 77.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.03 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -53.15 57.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.312 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 48' ' ' LEU . 1.9 pp -61.96 -26.18 68.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.339 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.522 HD11 HG22 ' A' ' 45' ' ' THR . 64.0 mt -88.05 -24.61 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.56 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.682 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -67.57 -23.86 65.45 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.448 -179.34 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 52' ' ' PHE . 52.5 p-10 -58.66 -19.17 36.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.782 0.325 . . . . 0.0 110.133 176.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 18.6 t80 -87.27 -61.11 1.8 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.377 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.437 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -64.9 -18.88 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.541 178.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.677 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 2.0 tt0 -84.21 -48.2 10.04 Favored 'General case' 0 CA--C 1.527 0.069 0 CA-C-O 120.865 0.364 . . . . 0.0 111.148 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -76.65 -37.94 55.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.858 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -55.65 -21.25 17.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.705 0.288 . . . . 0.0 111.209 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 128.42 -29.2 4.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.279 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.691 ' HA3' ' HB3' ' A' ' 61' ' ' ALA . . . 146.54 154.13 6.1 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.449 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.003 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.5 OUTLIER -62.06 -55.04 33.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.929 0.395 . . . . 0.0 110.933 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.632 ' N ' HD23 ' A' ' 59' ' ' LEU . 16.5 pt-20 -81.1 -33.53 33.24 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 176.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.691 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -58.3 -28.9 65.42 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.76 176.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 58' ' ' GLY . 2.9 t -81.42 -37.38 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.375 177.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.71 38.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.263 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -74.42 -27.65 60.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.513 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.31 -38.13 19.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.158 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -38.06 37.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.973 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -83.26 -27.67 29.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.707 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -41.19 98.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.858 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.85 137.58 20.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -168.99 -164.11 24.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.583 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -155.25 135.35 4.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.417 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.31 77.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.32 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.24 -52.44 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.31 -160.82 11.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.641 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -102.06 93.78 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.71 74.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.4 m -66.82 157.28 33.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.744 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.4 m -157.72 -172.16 3.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.98 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -7.39 40.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.592 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 81' ' ' LEU . . . -43.98 131.93 6.63 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.552 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' A' ' 80' ' ' GLY . 34.5 tp 78.76 -54.36 0.46 Allowed 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 122.697 0.399 . . . . 0.0 111.387 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.512 HG11 ' HB3' ' A' ' 32' ' ' ARG . 61.6 t -69.5 -30.17 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 111.041 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.35 -36.9 70.3 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.989 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -51.32 -26.89 8.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.612 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.435 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -85.0 -38.05 19.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.667 179.457 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.1 mtt -55.85 -34.57 65.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.81 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -75.04 -26.17 59.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.984 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 84' ' ' ALA . 40.8 t -81.04 -21.03 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.424 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.3 mmt -79.84 -23.68 41.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -27.82 67.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.984 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -61.71 -48.96 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.61 -39.63 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.5 t -81.97 -26.67 33.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -19.92 54.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.488 ' C ' HD12 ' A' ' 96' ' ' ILE . . . -92.65 120.47 33.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.201 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.728 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.2 mp -120.3 19.77 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -69.98 101.56 1.81 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.845 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 t -72.02 -23.74 61.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.28 -35.63 12.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.053 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.89 -70.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -64.96 82.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.978 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.25 -121.55 0.92 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.05 177.01 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -117.89 107.46 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.58 98.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.77 124.92 26.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.428 -179.759 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 1.003 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.751 0.31 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -84.6 -68.55 1.39 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.77 169.91 8.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -98.75 157.92 15.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.819 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.6 103.68 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 m -140.24 138.25 37.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.214 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.23 -41.56 60.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.678 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 61.58 40.19 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.179 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.898 HG13 ' H10' ' A' ' 108' ' ' WSK . 62.3 t -131.18 154.77 41.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.159 0.504 . . . . 0.0 111.416 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.478 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -84.98 -46.79 5.53 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.831 178.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -70.32 130.52 42.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.018 0.437 . . . . 0.0 110.467 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 25.6 p-10 -116.85 140.04 26.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.762 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 23.0 Cg_exo -63.95 67.96 0.21 Allowed 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.552 2.168 . . . . 0.0 112.336 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.8 OUTLIER -150.97 -74.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.966 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -97.28 -41.33 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.18 -91.68 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.54 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 48.9 m-85 -107.18 -178.81 3.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 111.038 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -137.59 67.48 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.611 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.563 HG11 ' HG3' ' A' ' 37' ' ' GLU . 30.9 m -46.43 -31.98 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.559 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -56.94 -26.85 60.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -144.07 32.57 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD12 HG12 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -61.57 136.46 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.034 -179.693 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.43 147.77 36.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.12 -38.45 4.94 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.692 2.261 . . . . 0.0 112.478 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -69.35 -38.65 78.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -75.52 -41.31 55.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.052 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -51.09 -29.96 14.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.944 0.402 . . . . 0.0 110.666 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -84.24 -35.13 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.606 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.733 HD23 ' O ' ' A' ' 29' ' ' LEU . 2.4 tt -53.23 -26.49 17.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.472 ' CE2' HD12 ' A' ' 26' ' ' LEU . 24.9 m-85 -84.41 -54.76 4.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.883 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 t -49.83 -25.04 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HB3' HG11 ' A' ' 82' ' ' VAL . 19.0 mtp180 -87.22 -30.27 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -86.45 -23.35 26.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.069 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.07 47.9 1.67 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.783 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.708 HD11 HD11 ' A' ' 85' ' ' LEU . 18.8 mt -127.75 149.17 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.714 0.293 . . . . 0.0 110.932 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -125.54 -168.4 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.239 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.771 ' O ' HG23 ' A' ' 41' ' ' THR . 0.6 OUTLIER -65.59 -44.72 85.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.159 -179.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.65 -30.97 6.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.443 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -80.4 -40.69 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 17' ' ' PHE . 18.9 mt -72.46 -42.3 65.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.258 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 37' ' ' GLU . 16.3 p -61.1 -34.18 74.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.092 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -65.96 125.77 26.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.047 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.49 64.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.025 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -73.53 -49.6 25.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 m -69.74 -28.76 66.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.8 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 50' ' ' TYR . 1.6 t -59.31 -59.13 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.437 179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -31.89 54.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.081 0.467 . . . . 0.0 109.974 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.64 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.8 tm? -69.82 -34.11 73.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.165 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.9 mt -88.43 -20.49 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.114 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.741 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -67.99 -21.99 65.03 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.692 -178.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -60.33 -18.05 47.18 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 80.7 t80 -87.72 -60.83 1.86 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.491 -179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.586 HG21 ' CD1' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -66.04 -17.63 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.863 179.242 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.673 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 0.5 OUTLIER -80.78 -25.41 37.94 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 110.955 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.07 -44.02 20.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 52' ' ' PHE . 2.3 mp0 -57.9 -24.21 56.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.038 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' HA2' ' H19' ' A' ' 108' ' ' WSK . . . 115.06 -26.28 9.38 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.473 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.896 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 156.24 -170.63 33.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.79 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.02 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 2.8 mp -83.79 -54.43 4.91 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.908 0.385 . . . . 0.0 110.39 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -29.81 70.85 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 173.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HB3' ' N ' ' A' ' 58' ' ' GLY . . . -62.29 -31.89 72.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.833 176.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 58' ' ' GLY . 53.4 t -83.51 -44.76 18.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.329 178.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -50.66 -42.6 56.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -50.57 -42.48 55.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.786 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.02 -38.92 18.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.028 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -20.52 61.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.25 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -47.31 -55.93 7.8 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.857 0.36 . . . . 0.0 111.112 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 172.47 80.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -162.91 66.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -159.16 -66.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.84 -55.72 13.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.9 94.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.31 17.37 43.05 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.612 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 166.03 159.79 12.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.579 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.35 26.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -102.13 10.02 39.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.62 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.49 90.93 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.075 0 CA-C-O 120.807 0.337 . . . . 0.0 110.846 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.1 p -148.69 119.39 7.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -97.87 -51.31 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.76 -104.87 0.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.375 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -27.02 60.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.883 0.373 . . . . 0.0 110.793 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.5 HG12 ' HE2' ' A' ' 86' ' ' MET . 61.7 t -58.46 -45.67 89.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.19 -40.41 67.19 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.417 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.47 -40.37 71.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.852 0.358 . . . . 0.0 110.814 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 85' ' ' LEU . 3.8 tp -67.01 -30.1 70.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.681 179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.5 ' HE2' HG12 ' A' ' 82' ' ' VAL . 22.1 mtt -65.15 -45.22 85.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.823 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -62.49 -45.99 90.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.42 -21.37 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.9 mmt -83.14 -25.67 31.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 0.0 110.793 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -72.92 -31.92 64.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 tptt -64.33 -28.58 69.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.813 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.06 -49.95 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.983 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.512 ' O ' HD11 ' A' ' 96' ' ' ILE . 3.3 t -65.28 -30.28 71.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -72.67 -24.57 61.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.007 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.533 ' C ' HD12 ' A' ' 96' ' ' ILE . . . -101.25 111.65 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.22 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.721 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.5 mp -121.54 -57.53 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -95.37 92.87 6.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.764 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -84.99 -32.89 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.019 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.7 p -76.13 -54.47 6.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.74 25.28 9.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.71 -26.9 34.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.23 -98.09 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.423 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -122.49 29.78 6.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 61.8 102.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -139.87 -62.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.019 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.54 121.09 27.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.498 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 1.02 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.806 0.336 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.57 -119.85 1.5 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -138.75 131.51 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.38 110.2 10.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -100.58 110.28 22.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.966 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 m -119.67 75.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.039 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 14.2 t -67.09 -35.92 80.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.48 ' CG ' ' O ' ' A' ' 7' ' ' SER . 17.3 p-80 45.44 56.7 5.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.015 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.748 HG23 ' H10' ' A' ' 108' ' ' WSK . 7.3 p -113.3 146.84 17.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.202 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.416 ' HA3' 'BR1 ' ' A' ' 108' ' ' WSK . . . -80.94 -35.05 25.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.7 178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.547 ' H ' HG22 ' A' ' 9' ' ' VAL . 5.1 t90 -84.13 142.57 30.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.779 179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' GLN . 31.4 m-20 -144.81 151.79 50.48 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.829 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.55 68.91 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.559 2.172 . . . . 0.0 112.25 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' ASP . 1.1 mt-30 -151.72 -83.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.961 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -84.42 -47.73 10.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.49 -91.53 1.06 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CE1' 'BR2 ' ' A' ' 108' ' ' WSK . 13.5 m-85 -108.51 178.92 4.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -179.62 69.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.971 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.545 ' HA ' HD23 ' A' ' 22' ' ' LEU . 20.5 m -43.75 -29.43 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.456 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.5 -51.07 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.821 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -104.79 21.9 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 19' ' ' VAL . 1.3 tp -105.03 134.7 47.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.9 146.55 27.57 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.36 -35.02 14.64 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.58 2.187 . . . . 0.0 112.021 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.6 -48.99 57.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.626 179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.659 ' HG ' HD12 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -74.71 -29.71 61.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 178.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -58.13 -46.15 86.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.452 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.6 m -69.74 -26.66 64.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.514 179.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.913 HD12 HG22 ' A' ' 82' ' ' VAL . 6.5 tp -70.11 -22.9 62.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.699 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.848 ' CZ ' HD11 ' A' ' 53' ' ' ILE . 6.6 m-85 -89.66 -63.77 1.24 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.02 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.5 m -48.39 -34.88 11.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.114 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HB3' HG11 ' A' ' 82' ' ' VAL . 31.0 mtp85 -67.69 -28.4 67.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.51 -23.02 43.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.19 34.65 2.48 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.452 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.557 HD12 HD21 ' A' ' 85' ' ' LEU . 50.7 mt -116.7 142.16 31.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 111.076 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.37 178.77 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -60.89 -38.02 84.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.91 -49.71 68.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.084 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.32 -27.04 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 37' ' ' GLU . 25.5 mt -82.32 -43.98 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.084 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 56.9 p -64.11 -25.25 68.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.51 118.83 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.983 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.02 93.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.65 -40.47 75.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.616 HG22 ' CD1' ' A' ' 49' ' ' ILE . 57.8 m -86.18 -30.63 22.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.032 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 47' ' ' LYS . 12.2 p -49.85 -59.62 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.266 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' N ' ' OG ' ' A' ' 46' ' ' SER . 14.0 ptmt -64.9 -30.48 71.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 48' ' ' LEU . 2.3 tm? -65.58 -34.35 78.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.508 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.616 ' CD1' HG22 ' A' ' 45' ' ' THR . 59.0 mt -88.39 -20.84 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.415 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.723 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -58.8 -20.69 52.48 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.819 -178.215 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -58.51 -17.87 24.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.606 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.428 ' HE1' ' HB3' ' A' ' 84' ' ' ALA . 67.9 t80 -86.4 -61.78 1.66 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.848 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 9.4 mt -64.31 -17.43 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.727 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -83.13 -30.23 28.06 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 178.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -79.55 -41.24 27.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.375 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.463 ' HB3' HG22 ' A' ' 62' ' ' VAL . 3.9 mp0 -55.26 -21.82 15.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.003 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.92 -21.94 13.08 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.288 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.948 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 154.44 136.42 2.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.002 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -54.67 -54.99 34.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.784 0.326 . . . . 0.0 111.036 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.925 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -70.41 -31.38 68.56 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.497 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -65.99 -19.94 66.03 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.745 177.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 58' ' ' GLY . 78.9 t -82.93 -32.59 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.698 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -47.58 -28.53 2.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -30.67 30.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -74.62 -49.01 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -40.17 43.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -58.52 -40.31 82.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.25 -36.44 84.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -58.79 90.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.99 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 167.3 129.12 1.04 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 170.54 -115.66 0.6 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.596 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.33 173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.58 -78.32 1.35 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.539 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.27 -94.14 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -168.38 74.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.349 . . . . 0.0 110.905 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -105.26 131.74 52.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.2 t -154.9 93.49 1.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' GLY . 87.0 p -124.74 131.23 53.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' HB2' ' HA3' ' A' ' 83' ' ' GLY . 1.4 pt-20 43.95 -91.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.423 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 78' ' ' SER . . . 47.47 96.44 0.01 OUTLIER Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.556 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' CB ' ' O ' ' A' ' 80' ' ' GLY . 14.1 tp 82.45 -52.39 0.21 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 122.481 0.313 . . . . 0.0 111.236 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.913 HG22 HD12 ' A' ' 29' ' ' LEU . 11.0 t -78.32 -22.45 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.342 -179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.421 ' HA3' ' HB2' ' A' ' 79' ' ' GLU . . . -63.3 -31.25 80.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.464 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -68.94 -48.92 62.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 110.98 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.604 HD21 ' HD1' ' A' ' 30' ' ' PHE . 6.8 tp -50.49 -47.41 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 20.5 mtt -51.65 -54.2 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.755 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -51.28 -24.69 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.04 -27.3 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.217 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.419 ' SD ' HD11 ' A' ' 35' ' ' ILE . 67.9 mmm -83.48 -35.61 24.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.561 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -63.12 -32.36 73.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.773 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -67.5 -50.6 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.769 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -65.07 -44.26 89.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.764 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.3 m -53.52 -35.29 60.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.72 -29.34 64.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -51.22 125.39 13.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.048 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.5 mm -100.03 -71.43 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.22 79.33 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 t -82.69 -43.11 17.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.055 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.76 -32.91 66.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.078 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.79 33.72 4.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -102.77 101.63 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -147.79 -61.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.393 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.17 82.95 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -85.73 89.2 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.2 158.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.018 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -142.11 124.79 15.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.345 -1.253 . . . . 0.0 112.533 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 1.002 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.858 0.361 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 155.79 125.34 0.91 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.611 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 3' ' ' PHE . 32.9 p90 -118.96 117.53 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.748 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -121.37 127.98 51.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.993 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -118.52 107.87 14.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.792 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 6' ' ' VAL . 24.7 m -139.65 128.19 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.176 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 m -65.75 -48.95 70.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.735 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.49 125.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.023 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.765 HG22 ' H10' ' A' ' 108' ' ' WSK . 94.6 t 66.9 158.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.52 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -88.86 -47.56 4.16 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.352 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.501 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 4.2 t90 -68.59 123.16 20.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.905 0.384 . . . . 0.0 110.215 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -104.38 126.51 31.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.989 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HG3' ' CH2' ' A' ' 11' ' ' TRP . 37.0 Cg_exo -60.72 77.37 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.432 2.088 . . . . 0.0 112.236 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.5 OUTLIER 174.69 -60.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.29 -48.57 17.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.55 -138.31 14.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.381 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.548 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 10.8 m-85 -69.86 173.18 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.49 64.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.145 0.498 . . . . 0.0 110.711 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 22' ' ' LEU . 30.3 m -66.83 -29.65 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -57.35 -33.25 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -136.31 38.84 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.729 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD12 HG12 ' A' ' 19' ' ' VAL . 1.6 mt -72.39 141.99 48.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.926 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.39 153.93 91.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.816 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.06 -38.15 7.51 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.549 2.166 . . . . 0.0 112.232 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.77 83.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.66 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.635 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.9 tm? -75.06 -45.31 42.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -52.28 -33.96 44.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.93 -26.26 56.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.485 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 81' ' ' LEU . 2.2 tt -61.22 -25.83 67.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.796 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.607 ' HD1' HD12 ' A' ' 35' ' ' ILE . 40.5 m-85 -91.47 -47.25 7.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.696 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.1 t -52.41 -25.75 10.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.756 ' CB ' HG11 ' A' ' 82' ' ' VAL . 31.9 mtt85 -84.57 -40.66 17.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -72.46 -23.19 61.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.69 50.56 1.95 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.649 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.607 HD12 ' HD1' ' A' ' 30' ' ' PHE . 36.8 mt -126.8 147.08 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 0.0 111.092 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.63 -175.81 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.559 ' HA ' HD12 ' A' ' 40' ' ' LEU . 4.2 mt-10 -59.45 -40.63 87.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.072 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.24 -40.94 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.504 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.412 ' HB2' HG23 ' A' ' 35' ' ' ILE . 21.6 mt-30 -81.78 -23.18 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.169 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 37' ' ' GLU . 12.2 mt -86.46 -22.38 26.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.259 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 37' ' ' GLU . 64.8 p -81.28 -40.49 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -59.87 129.2 40.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.061 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.92 -30.01 66.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.34 -38.87 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.493 HG22 HD11 ' A' ' 49' ' ' ILE . 2.4 m -84.98 -41.33 15.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.0 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.0 m -50.57 -59.24 4.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.786 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 ttpp -56.54 -40.94 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.015 0.435 . . . . 0.0 109.999 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.627 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.1 tm? -58.96 -33.37 70.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.281 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 45' ' ' THR . 47.2 mt -88.23 -24.01 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.14 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.755 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -63.36 -23.85 67.59 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.403 -178.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.9 -18.15 42.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 20.0 t80 -85.77 -60.99 1.86 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.526 -179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.643 HG21 ' CD1' ' A' ' 59' ' ' LEU . 8.9 mt -66.45 -17.63 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.672 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.687 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 0.1 OUTLIER -80.3 -32.82 37.99 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.788 0.328 . . . . 0.0 111.108 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.26 -38.89 63.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.033 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.667 ' HB3' HG22 ' A' ' 62' ' ' VAL . 90.6 mm-40 -59.73 -24.42 64.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' O ' ' H15' ' A' ' 108' ' ' WSK . . . 110.86 -25.58 14.27 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.39 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.889 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 159.69 -176.98 36.38 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.293 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.036 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 1.4 mp -80.14 -54.51 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.201 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.17 -31.41 72.6 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 173.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.592 ' HB3' ' N ' ' A' ' 58' ' ' GLY . . . -61.63 -31.59 71.69 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.178 176.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 58' ' ' GLY . 42.6 t -82.49 -43.66 19.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.091 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -51.22 -35.01 34.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.667 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -62.47 -43.47 98.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.837 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -84.44 -40.25 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -31.26 18.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.29 -43.87 11.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -57.58 -49.38 76.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 70' ' ' GLY . 2.3 tt0 -100.81 145.57 28.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.978 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.423 ' N ' ' HG2' ' A' ' 69' ' ' GLN . . . 96.05 129.42 5.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.401 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.29 73.64 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.0 m -169.55 35.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 146.11 65.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.16 -42.83 1.8 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.22 60.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.765 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -26.32 14.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.446 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.57 112.62 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.72 -28.3 69.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.06 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 82' ' ' VAL . 2.1 mt-10 -56.45 -46.96 80.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.096 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.53 -114.92 2.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.446 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.798 ' CD1' HD11 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -64.18 -25.27 68.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.737 0.303 . . . . 0.0 110.848 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.756 HG11 ' CB ' ' A' ' 32' ' ' ARG . 53.9 t -57.03 -45.8 84.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.29 -26.33 36.16 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.246 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.56 -33.67 60.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.813 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.842 HD12 HG12 ' A' ' 88' ' ' VAL . 2.8 tp -62.99 -46.9 85.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 16.3 mtt -50.0 -24.8 2.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.946 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -77.5 -33.84 54.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.451 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.842 HG12 HD12 ' A' ' 85' ' ' LEU . 1.3 p -65.78 -27.34 41.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.879 0.371 . . . . 0.0 111.048 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 25.2 mmt -76.09 -39.51 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -57.37 -36.01 70.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -60.13 -43.42 95.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.681 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.35 -48.84 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.78 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -39.27 68.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -36.77 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.005 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.4 123.07 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.218 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.1 mp -91.96 -74.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 164.08 12.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.028 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.1 t -84.43 -40.64 17.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.6 m -62.56 -19.07 63.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.285 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 t70 70.89 29.6 3.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.941 0.4 . . . . 0.0 110.744 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -45.67 151.33 0.43 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.438 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 160.93 -143.49 8.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.341 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 60.79 65.77 0.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.726 0.298 . . . . 0.0 110.927 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -138.04 -80.01 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.1 103.41 3.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -135.18 108.64 7.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.038 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.557 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 1.036 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.838 0.351 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 116.13 70.74 0.46 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -111.57 150.15 30.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -80.33 85.77 5.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.416 ' CD2' ' O ' ' A' ' 5' ' ' HIS . 16.5 p-80 -72.59 101.86 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.995 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 6' ' ' VAL . 34.2 m -141.39 102.37 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.201 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.2 t -51.53 -50.72 59.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.564 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.623 ' O ' HG12 ' A' ' 9' ' ' VAL . 1.8 t60 79.07 -67.11 0.17 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.984 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.119 HG23 ' H10' ' A' ' 108' ' ' WSK . 8.0 p 123.49 146.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 125.11 1.507 . . . . 0.0 110.603 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.13 -30.88 7.56 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.522 ' H ' HG22 ' A' ' 9' ' ' VAL . 22.2 t90 -75.43 112.95 12.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.917 0.389 . . . . 0.0 110.256 177.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -102.3 125.73 35.45 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.91 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.05 88.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.345 2.03 . . . . 0.0 112.135 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.91 -62.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.62 -48.43 6.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.069 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.69 -119.45 3.94 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.499 -0.857 . . . . 0.0 112.549 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 16.0 m-85 -81.18 154.38 26.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 110.995 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.6 66.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.587 HG12 HD12 ' A' ' 22' ' ' LEU . 6.5 m -59.77 -25.03 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.27 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.413 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 8.7 p30 -57.88 -48.65 79.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.714 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' ND2' ' OD1' ' A' ' 20' ' ' ASN . 18.5 p30 -116.15 30.99 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.587 HD12 HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -61.36 137.74 58.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.036 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.77 142.24 88.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.92 -59.71 0.95 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.576 2.184 . . . . 0.0 112.35 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -49.57 -61.05 2.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.713 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -52.68 -36.58 57.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.772 179.74 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -30.86 70.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 110.492 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.95 -27.51 24.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.148 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.95 ' CD1' HG22 ' A' ' 82' ' ' VAL . 6.8 tp -58.58 -25.19 62.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.774 178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.661 ' HD1' HD12 ' A' ' 35' ' ' ILE . 16.6 m-85 -82.76 -59.69 2.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.791 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -48.94 -29.23 4.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.045 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.487 ' HB3' HG11 ' A' ' 82' ' ' VAL . 11.4 mtp85 -81.8 -28.34 33.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.31 -23.44 21.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.88 40.26 1.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.897 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.661 HD12 ' HD1' ' A' ' 30' ' ' PHE . 23.2 mt -128.14 148.97 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.805 0.336 . . . . 0.0 111.192 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.12 174.37 10.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 41' ' ' THR . 1.9 tt0 -51.82 -27.16 11.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.53 82.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.276 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -80.41 -29.77 37.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 37' ' ' GLU . 35.6 mt -69.96 -32.5 70.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.127 -179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 37' ' ' GLU . 24.7 p -67.46 -43.13 81.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.986 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.66 129.53 42.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -41.47 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.32 -34.59 78.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.4 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 6.4 m -78.19 -44.46 25.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 p -53.3 -34.69 58.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -62.53 -57.6 10.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 48' ' ' LEU . 1.1 pp -58.23 -30.04 66.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.868 0.366 . . . . 0.0 110.772 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.417 HD11 ' CE ' ' A' ' 89' ' ' MET . 74.0 mt -80.04 -30.14 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.018 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.668 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -63.4 -23.34 67.36 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.587 -178.668 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -60.47 -17.79 47.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CD2' ' HG ' ' A' ' 85' ' ' LEU . 47.7 t80 -87.59 -57.36 2.97 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.61 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.708 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.0 mt -71.43 -18.51 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.834 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.642 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 2.8 tm-20 -83.97 -22.16 31.52 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.718 0.294 . . . . 0.0 111.474 178.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -88.89 -46.55 8.83 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.465 ' OE1' ' CE1' ' A' ' 52' ' ' PHE . 5.8 mp0 -55.79 -19.69 12.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.405 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.26 -31.84 4.74 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.021 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.863 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 163.25 151.7 6.53 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.684 179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.978 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 0.2 OUTLIER -61.68 -55.14 33.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.863 0.363 . . . . 0.0 110.742 -179.837 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.914 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -72.96 -31.23 64.43 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.447 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.542 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -63.19 -26.46 68.82 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.013 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 58' ' ' GLY . 23.6 t -79.07 -41.15 22.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.37 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -51.58 -33.73 33.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.321 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -67.73 -33.2 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.541 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -35.87 42.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.722 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -30.64 63.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -33.7 73.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -160.42 69.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.993 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.406 ' NE2' ' O ' ' A' ' 78' ' ' SER . 1.2 pt20 -56.49 -25.63 51.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 176.42 -158.59 25.02 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.533 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.99 -106.57 0.99 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.549 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.5 t -145.71 173.93 11.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.929 0.395 . . . . 0.0 110.852 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.89 -26.34 6.53 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.486 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -143.03 -47.3 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.67 134.88 49.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -120.04 44.87 2.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.004 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 55.6 p -114.72 156.09 25.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.406 ' O ' ' NE2' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -99.6 -31.81 11.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 82' ' ' VAL . 19.2 mt-10 -50.7 -60.57 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 48.29 -113.79 1.64 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.608 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.6 pt? -52.92 -28.25 22.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.739 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.95 HG22 ' CD1' ' A' ' 29' ' ' LEU . 61.1 t -55.35 -47.85 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.007 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.98 -42.07 98.16 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.302 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -51.65 -30.1 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.498 ' HG ' ' CD2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -77.08 -36.68 55.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.803 179.633 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.3 mtt -55.61 -44.59 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -64.29 -35.47 80.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.622 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 84' ' ' ALA . 59.9 t -67.31 -37.27 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.891 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.417 ' CE ' HD11 ' A' ' 49' ' ' ILE . 3.4 mmt -71.22 -37.24 72.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.699 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -66.88 -29.24 69.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.643 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.47 -44.03 84.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.748 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -83.87 -30.72 26.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.768 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -50.66 44.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.94 -63.18 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.011 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 55.74 107.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.006 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.714 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.3 mp -111.74 55.28 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.044 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -151.05 112.37 4.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.992 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.4 p -80.91 -37.13 30.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.3 t -83.42 -26.65 30.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 t0 69.75 -70.22 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -154.18 -55.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -54.76 167.25 2.34 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.529 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -120.28 -44.15 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -55.37 119.44 5.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -108.06 51.15 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.14 101.68 2.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.509 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 1.119 ' H10' HG23 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.869 0.366 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.18 -163.95 36.43 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -129.3 118.37 22.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.63 120.18 37.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -73.3 133.41 43.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -120.55 124.41 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.1 t -75.77 -19.21 59.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.279 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -59.62 85.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.915 0.388 . . . . 0.0 110.939 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.787 HG23 ' H10' ' A' ' 108' ' ' WSK . 9.6 p -176.39 157.04 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.005 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -114.62 -21.57 5.39 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.748 179.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.496 ' H ' HG22 ' A' ' 9' ' ' VAL . 57.0 t90 -68.32 100.93 1.12 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.178 0.513 . . . . 0.0 110.446 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' GLN . 1.0 OUTLIER -84.12 125.41 72.56 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.724 179.403 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.34 77.29 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.605 2.204 . . . . 0.0 112.343 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER 172.75 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.864 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.93 -52.3 37.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.769 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.96 -87.41 1.14 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.608 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 11.1 m-85 -116.77 159.19 22.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.24 -179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.63 46.36 2.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.685 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.46 HG21 ' HG3' ' A' ' 37' ' ' GLU . 15.0 p -48.05 -25.66 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.51 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -60.06 -29.49 68.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.172 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -149.51 33.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.015 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.21 140.47 52.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.09 137.92 80.06 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -51.38 -44.5 43.05 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.434 2.09 . . . . 0.0 112.181 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 3.0 m-20 -56.72 -57.86 10.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.773 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.677 HD23 ' HG ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -61.18 -34.09 74.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 179.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -56.58 -46.36 80.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.692 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.0 p -70.19 -40.8 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.643 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.6 -24.03 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.785 ' HD1' HD12 ' A' ' 35' ' ' ILE . 27.5 m-85 -94.02 -51.61 4.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 t -53.36 -24.93 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.665 ' HB3' HG11 ' A' ' 82' ' ' VAL . 55.3 mtt-85 -77.29 -24.27 51.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.986 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.44 -23.11 20.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.139 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.28 63.44 0.94 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.569 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.785 HD12 ' HD1' ' A' ' 30' ' ' PHE . 22.4 mt -125.59 138.21 55.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 p -104.49 172.68 6.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.2 mt-10 -60.83 -31.71 71.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.6 -46.17 73.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -70.29 -37.26 74.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.019 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -68.9 -42.71 76.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 37' ' ' GLU . 61.5 p -74.11 -41.97 60.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.117 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.67 125.52 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.29 -26.9 61.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.02 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.91 -41.34 59.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.2 m -86.02 -24.76 26.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.007 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.5 p -50.01 -59.14 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.864 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -65.16 -37.82 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.695 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 tp -57.73 -31.34 66.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.45 HG12 ' CE ' ' A' ' 89' ' ' MET . 24.3 mt -88.33 -22.19 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.402 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.759 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -61.68 -20.26 63.25 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.793 -178.541 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.32 -17.9 23.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.641 177.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' HE1' ' HB3' ' A' ' 84' ' ' ALA . 88.0 t80 -86.98 -61.77 1.65 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.8 mt -61.74 -18.23 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.599 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.75 ' HB2' ' H2 ' ' A' ' 108' ' ' WSK . 2.8 tm-20 -83.65 -28.96 28.03 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.722 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -50.07 35.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.61 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.705 ' HB3' HG22 ' A' ' 62' ' ' VAL . 2.3 mp0 -55.46 -20.32 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.318 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.75 -26.31 8.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.208 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.919 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 163.05 142.3 3.36 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.654 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.988 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.1 OUTLIER -53.51 -55.3 26.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.731 0.301 . . . . 0.0 111.254 -179.607 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.893 ' N ' HD23 ' A' ' 59' ' ' LEU . 7.0 pt-20 -73.38 -35.79 65.96 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.522 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -58.23 -20.71 44.01 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.466 -1.243 . . . . 0.0 110.616 176.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 58' ' ' GLY . 55.4 t -83.43 -47.17 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.504 178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 25' ' ' ASP . 61.2 mtp180 -46.04 -39.38 9.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.274 -179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -52.47 -38.15 58.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -56.02 3.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.891 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -34.27 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.29 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -39.04 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.136 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -115.79 -40.32 3.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.072 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 70.61 -63.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 169.49 -118.49 0.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -143.82 21.61 2.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.569 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.9 122.08 33.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.57 -127.89 1.0 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.26 -114.91 5.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.3 t -127.48 28.36 5.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -123.12 27.65 7.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.046 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.56 112.67 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.698 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.73 -41.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.419 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -95.67 -157.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.187 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.467 ' O ' ' HG ' ' A' ' 81' ' ' LEU . . . 62.08 99.37 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.001 -1.095 . . . . 0.0 110.506 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.752 ' N ' HD23 ' A' ' 81' ' ' LEU . 0.1 OUTLIER 69.84 -58.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 111.263 -176.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.665 HG11 ' HB3' ' A' ' 32' ' ' ARG . 5.2 t -55.58 -43.85 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.362 -175.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.44 -38.76 81.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.357 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.573 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -56.17 -38.8 71.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.598 HD11 ' CE1' ' A' ' 30' ' ' PHE . 1.6 tt -71.45 -43.23 67.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.905 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 35.6 mtt -50.7 -29.35 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.749 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.41 ' HA ' ' HG2' ' A' ' 90' ' ' GLN . 10.9 m170 -78.47 -24.12 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.823 179.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -84.76 -32.67 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.202 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.45 ' CE ' HG12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -81.35 -31.43 33.39 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.594 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 87' ' ' HIS . 12.3 pt20 -65.82 -24.65 66.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.654 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -63.33 -57.76 9.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -61.11 -29.84 70.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.681 ' O ' HD11 ' A' ' 96' ' ' ILE . 1.4 t -65.97 -27.44 68.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -94.26 -27.64 16.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.403 ' C ' HD12 ' A' ' 96' ' ' ILE . . . -101.94 93.94 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.707 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.6 mp -109.68 -41.94 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.041 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -97.38 110.47 23.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.8 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.2 t -66.83 -22.5 66.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -33.68 70.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.133 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -104.65 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.052 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.41 102.15 10.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.39 98.23 0.12 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.537 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.89 -22.02 12.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 111.082 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -126.96 38.0 4.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -131.33 31.17 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -130.03 123.21 29.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.47 -1.184 . . . . 0.0 112.483 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 0.988 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.7 p . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.836 0.35 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.49 61.11 0.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.423 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.75 112.54 19.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.94 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.5 117.12 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.6 123.0 16.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.5 m -152.39 148.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.192 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -29.97 12.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.607 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 61.69 34.19 17.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.682 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.988 HG13 ' H10' ' A' ' 108' ' ' WSK . 47.5 t -139.6 146.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.016 0.436 . . . . 0.0 110.894 178.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.54 -29.36 8.32 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.861 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.539 ' CZ3' ' CE2' ' A' ' 50' ' ' TYR . 14.5 t90 -86.19 125.33 33.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.959 0.409 . . . . 0.0 110.566 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -107.92 130.73 22.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.919 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.04 72.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.669 2.246 . . . . 0.0 112.464 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER 172.04 -64.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -61.94 -44.8 96.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.3 -123.58 6.93 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.552 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.537 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 9.2 m-85 -94.71 170.74 9.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.71 64.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.62 -33.86 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.082 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 19.3 p30 -54.84 -30.3 57.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.688 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 1.2 m-20 -138.51 37.16 2.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.705 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 22' ' ' LEU . 1.4 mt -69.0 142.47 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.475 ' HB2' HD21 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -57.06 138.91 79.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.803 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.44 -43.23 59.3 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.505 2.137 . . . . 0.0 112.525 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.39 -60.86 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.117 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.665 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.6 tm? -49.38 -38.22 27.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.08 -30.45 36.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.745 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -84.56 -33.76 23.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.471 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.83 HD23 ' O ' ' A' ' 29' ' ' LEU . 4.8 tt -55.89 -24.15 35.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.75 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' CZ ' HD11 ' A' ' 53' ' ' ILE . 9.0 m-85 -91.31 -62.68 1.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.3 t -49.61 -26.2 3.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.995 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB3' HG21 ' A' ' 82' ' ' VAL . 47.8 mtt-85 -82.52 -27.96 31.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.35 -19.16 34.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.289 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.42 39.12 2.87 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.497 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.538 HD12 HD21 ' A' ' 85' ' ' LEU . 43.2 mt -126.53 123.39 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.804 0.335 . . . . 0.0 111.091 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.416 ' N ' ' OE1' ' A' ' 39' ' ' GLN . 43.5 m -104.16 176.53 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' O ' HG23 ' A' ' 41' ' ' THR . 2.1 mt-10 -54.06 -26.43 26.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.78 -53.65 45.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.352 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' OE1' ' N ' ' A' ' 36' ' ' SER . 21.4 mp0 -73.84 -29.74 62.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.417 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.85 -27.31 55.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 37' ' ' GLU . 19.2 p -80.89 -25.42 37.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.4 104.21 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.98 -28.0 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.242 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -80.02 -56.56 4.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.099 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.1 m -63.54 -21.04 66.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.451 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -71.47 -43.07 67.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 0.0 111.378 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -52.07 -57.13 10.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.492 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.13 -24.47 40.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.183 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 85.8 mt -85.95 -26.95 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.456 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.688 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -66.39 -22.64 66.25 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.548 -179.418 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -59.81 -17.94 39.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 32.1 t80 -88.39 -61.21 1.76 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.635 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.557 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -64.87 -18.31 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.891 179.79 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.617 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 2.4 tt0 -83.7 -37.76 22.33 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-O 120.876 0.369 . . . . 0.0 111.168 178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.92 -38.99 26.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.924 -178.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -55.55 -20.28 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.743 0.306 . . . . 0.0 111.402 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.77 -24.93 6.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 0.0 111.899 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.848 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 143.0 147.65 4.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.513 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.973 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.5 OUTLIER -58.82 -55.27 37.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.8 0.333 . . . . 0.0 111.271 -179.281 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.823 ' N ' HD23 ' A' ' 59' ' ' LEU . 13.1 pt-20 -75.25 -34.23 61.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -58.49 -28.05 65.02 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 114.592 -1.185 . . . . 0.0 109.983 176.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 58' ' ' GLY . 24.9 t -77.37 -41.27 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.524 177.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.2 ttt-85 -51.93 -37.39 52.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.245 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -67.62 -27.93 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.292 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.77 -52.83 5.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.723 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -26.52 5.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -51.74 11.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -68.26 -59.79 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.01 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 62.31 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -83.35 -63.33 1.72 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.09 -56.16 0.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.545 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.7 p -135.3 27.7 3.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -139.48 -96.8 0.34 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.558 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 118.24 85.3 1.03 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.5 p -151.93 77.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.96 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.18 133.46 55.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.94 126.35 0.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.48 139.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.015 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -28.27 69.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.7 -96.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.857 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.513 HD21 HG13 ' A' ' 62' ' ' VAL . 8.8 tp -47.01 -51.2 17.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.703 0.287 . . . . 0.0 111.304 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -76.5 -34.48 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.577 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.32 -23.8 66.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.697 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.63 -33.87 58.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.008 0.433 . . . . 0.0 110.546 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.861 ' O ' HD12 ' A' ' 85' ' ' LEU . 1.4 tp -63.55 -36.99 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.523 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.0 mtt -53.44 -22.75 8.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.423 ' HA ' ' HG3' ' A' ' 90' ' ' GLN . 7.0 m170 -80.19 -45.82 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.399 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.838 HG12 HD12 ' A' ' 85' ' ' LEU . 1.2 p -52.28 -27.47 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-O 120.906 0.384 . . . . 0.0 111.049 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.6 mmt -75.09 -28.14 60.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.966 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.423 ' HG3' ' HA ' ' A' ' 87' ' ' HIS . 5.4 mm-40 -57.86 -34.25 69.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.806 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -66.15 -42.93 88.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -54.66 11.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.031 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -49.67 -56.11 11.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.062 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' HB3' HD11 ' A' ' 96' ' ' ILE . 19.1 mmt85 -85.89 -65.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.562 ' C ' HD12 ' A' ' 96' ' ' ILE . . . 58.46 109.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.033 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.717 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.6 mp -122.05 -70.06 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.168 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 31.8 p80 45.1 49.09 9.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.357 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 m -81.41 -50.39 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.96 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 t -61.6 -29.81 70.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.45 81.18 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.84 177.46 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.34 -100.64 0.3 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.628 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.93 -46.66 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 110.834 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.4 t0 66.45 176.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.65 -67.35 0.86 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.89 103.02 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.512 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 0.988 ' H10' HG13 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.869 0.366 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.01 -98.0 0.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -131.42 125.14 31.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.5 162.27 26.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.785 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.402 ' HB3' HG11 ' A' ' 9' ' ' VAL . 48.1 m-70 -131.83 93.86 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.398 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.721 HG23 ' H ' ' A' ' 8' ' ' HIS . 6.0 m -76.28 -160.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.424 -178.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -68.42 -6.04 22.5 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.721 ' H ' HG23 ' A' ' 6' ' ' VAL . 1.5 p-80 -72.82 -2.45 20.61 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.019 HG23 ' H10' ' A' ' 108' ' ' WSK . 7.6 p -135.59 152.19 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.965 0.412 . . . . 0.0 110.896 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.75 -33.63 6.04 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.767 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -82.04 146.09 29.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.979 0.418 . . . . 0.0 110.415 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.33 144.34 47.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.5 59.03 2.54 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.826 2.35 . . . . 0.0 112.697 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.31 -73.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -68.52 -50.83 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.28 -130.84 9.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.63 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 2.7 m-85 -83.59 149.45 26.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.905 0.383 . . . . 0.0 111.139 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.561 ' C ' HD13 ' A' ' 22' ' ' LEU . 14.6 t0 -102.97 38.92 1.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.823 HG23 HD22 ' A' ' 22' ' ' LEU . 7.8 p -45.13 -29.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.569 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -54.63 -43.47 72.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.186 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -118.18 27.58 8.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.265 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.823 HD22 HG23 ' A' ' 19' ' ' VAL . 1.1 tp -52.77 133.34 37.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.001 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.93 142.27 56.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.28 -56.78 2.23 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.548 2.165 . . . . 0.0 112.154 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' OD1' ' NE ' ' A' ' 63' ' ' ARG . 2.2 m-20 -60.9 -40.79 94.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -64.29 -44.87 90.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.669 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -26.74 14.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.557 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.42 -28.76 23.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.342 178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.738 ' CD1' HG22 ' A' ' 82' ' ' VAL . 11.0 tp -58.2 -24.8 60.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.795 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CE2' HD12 ' A' ' 26' ' ' LEU . 30.7 m-85 -84.13 -56.84 3.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.748 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -24.99 5.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.769 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.846 ' HB3' HG11 ' A' ' 82' ' ' VAL . 83.0 mtt180 -86.96 -24.36 24.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.51 -23.16 19.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.157 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.76 29.29 5.03 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.929 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.651 HD12 HD21 ' A' ' 85' ' ' LEU . 24.4 mt -116.04 138.67 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.965 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.91 174.59 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 41' ' ' THR . 3.2 tt0 -50.71 -38.33 46.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.799 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.76 -54.77 20.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.79 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.526 ' HB2' HG23 ' A' ' 35' ' ' ILE . 9.8 mp0 -64.02 -26.43 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.635 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.439 HD13 HD21 ' A' ' 22' ' ' LEU . 21.7 mt -76.67 -46.7 24.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.136 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 37' ' ' GLU . 23.5 p -68.44 -24.13 64.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.352 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.77 110.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.073 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.06 -35.66 73.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -70.19 -54.15 14.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -64.34 -30.18 71.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.704 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 p -51.13 -58.46 6.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.682 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -59.38 -31.7 69.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.291 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.64 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.0 tm? -69.83 -31.72 69.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.507 179.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.0 mt -88.13 -20.78 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.183 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.643 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -65.64 -22.07 66.62 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.713 -178.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -59.3 -19.91 50.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 74.0 t80 -89.61 -61.37 1.71 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.692 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.572 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -65.37 -19.47 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.956 -179.468 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.663 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 1.9 tt0 -84.84 -22.02 29.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.694 0.283 . . . . 0.0 111.293 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.08 -46.39 8.51 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' OE1' ' CD1' ' A' ' 52' ' ' PHE . 7.7 mp0 -55.27 -19.97 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.622 -178.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.8 -30.85 4.74 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.026 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.854 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 158.22 150.39 5.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.848 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.963 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -60.16 -55.3 35.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.875 0.369 . . . . 0.0 110.96 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.894 ' N ' HD23 ' A' ' 59' ' ' LEU . 6.9 pt-20 -73.52 -33.1 64.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 176.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.543 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -59.82 -28.32 67.37 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.868 176.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 58' ' ' GLY . 42.2 t -80.34 -40.01 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.496 176.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' NE ' ' OD1' ' A' ' 25' ' ' ASP . 52.7 ttt-85 -51.89 -30.65 24.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.22 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -60.11 -38.92 84.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.75 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -84.89 -35.13 22.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -34.24 74.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.886 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -31.62 72.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.956 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -86.46 -67.1 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 53.08 66.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.61 140.53 7.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.6 -131.33 0.24 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.596 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.4 t -131.64 38.78 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 0.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -163.04 34.26 0.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.564 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 127.28 -143.4 14.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.548 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 69.87 49.21 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -63.37 115.55 4.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.973 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.47 134.27 14.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.1 -58.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -99.55 34.52 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.33 -102.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.376 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.5 ' CD1' HG13 ' A' ' 62' ' ' VAL . 2.6 pt? -61.01 -30.77 70.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.772 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.846 HG11 ' HB3' ' A' ' 32' ' ' ARG . 48.6 t -62.67 -45.41 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.42 -39.74 74.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.301 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' HB3' ' HE1' ' A' ' 52' ' ' PHE . . . -52.54 -39.09 61.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 110.803 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 35' ' ' ILE . 9.8 tp -70.16 -33.78 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.58 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.456 ' HE2' ' O ' ' A' ' 32' ' ' ARG . 28.4 mtt -59.49 -40.35 86.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.758 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -64.33 -51.02 65.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.701 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.9 t -55.53 -25.61 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 5.7 mmt -79.17 -28.86 42.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -72.74 -33.36 66.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.65 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -30.61 64.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.83 -50.22 8.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.728 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.1 t -56.93 -39.45 74.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 96' ' ' ILE . 8.7 mmt180 -95.02 -57.52 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.023 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 61.63 -82.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.191 0.52 . . . . 0.0 111.085 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 94' ' ' ARG . 9.8 mm 56.84 68.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.159 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 96' ' ' ILE . 2.1 m-70 67.91 142.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.7 t -75.22 -36.78 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 101' ' ' GLU . 4.6 t -62.68 -35.28 79.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.2 t0 67.17 -69.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 176.91 124.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.34 28.35 17.48 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.557 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -137.76 117.97 13.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.755 0.312 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -171.87 91.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 62.03 118.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.22 136.48 42.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.01 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.442 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 1.019 ' H10' HG23 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.806 0.336 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.15 48.99 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -64.04 101.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.006 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -68.19 160.23 29.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.55 ' O ' HG13 ' A' ' 6' ' ' VAL . 61.4 m170 -107.12 95.05 5.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 5' ' ' HIS . 1.1 m -160.21 95.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.808 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.44 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -79.17 -29.12 42.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 7' ' ' SER . 6.2 m-70 73.12 -63.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.293 0.568 . . . . 0.0 110.739 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.773 HG22 ' H10' ' A' ' 108' ' ' WSK . 58.0 t -90.51 158.56 2.9 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.478 178.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.483 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -105.81 -33.73 3.46 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -65.54 101.29 0.58 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.172 0.51 . . . . 0.0 109.948 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 14' ' ' GLN . 38.2 p-10 -80.33 120.52 79.71 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.911 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -60.22 78.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.436 2.091 . . . . 0.0 112.165 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER 176.32 -66.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -77.56 -50.74 11.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.0 -102.56 1.09 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.438 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' CE2' HD22 ' A' ' 40' ' ' LEU . 30.4 m-85 -97.88 178.19 5.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.71 78.19 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.788 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.63 HG11 ' HG3' ' A' ' 37' ' ' GLU . 30.3 m -61.67 -26.21 39.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -56.72 -36.81 70.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.1 29.95 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -61.73 147.46 46.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.21 134.94 42.37 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.15 -52.67 7.33 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.531 2.154 . . . . 0.0 112.366 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.43 -50.2 32.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.173 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.752 ' HG ' HD23 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -75.34 -34.95 61.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 179.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 5.7 mtp85 -54.6 -30.12 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.39 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -86.08 -22.17 27.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.936 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.619 HD11 HD12 ' A' ' 81' ' ' LEU . 1.7 tt -69.99 -26.64 64.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 35' ' ' ILE . 7.4 m-85 -78.7 -58.74 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.69 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -51.9 -25.74 8.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.641 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -80.71 -44.0 19.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.06 -23.43 59.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.16 44.49 1.37 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.949 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.582 HD11 HD22 ' A' ' 85' ' ' LEU . 20.2 mt -128.15 150.78 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 0.0 110.927 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p -132.65 -177.12 4.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.102 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.63 ' HG3' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -57.06 -46.6 82.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.019 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.12 -28.88 4.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -84.83 -32.06 23.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.583 HD22 ' CE2' ' A' ' 17' ' ' PHE . 24.4 mt -79.93 -41.85 25.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.079 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.8 p -59.65 -32.83 70.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.54 120.99 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.0 -25.38 60.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.9 -40.74 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.972 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.748 ' HA ' HD23 ' A' ' 48' ' ' LEU . 1.8 m -76.36 -33.7 58.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 t -54.85 -45.7 74.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.61 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -55.22 -21.46 14.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.597 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 45' ' ' THR . 2.8 mm? -84.67 -35.06 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.413 0.625 . . . . 0.0 110.153 178.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.5 mt -84.15 -21.39 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.111 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.644 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -74.61 -21.23 59.57 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.599 -179.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -61.17 -17.76 54.65 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.429 ' CG ' ' HG ' ' A' ' 85' ' ' LEU . 57.5 t80 -89.11 -61.31 1.73 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.525 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -65.7 -18.81 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.925 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.721 ' HG2' ' H11' ' A' ' 108' ' ' WSK . 6.2 tm-20 -84.08 -38.56 20.64 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.722 0.296 . . . . 0.0 111.228 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -86.05 -35.81 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.735 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -55.71 -20.1 13.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.475 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.01 -27.89 4.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.673 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.723 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 143.74 154.09 6.04 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.388 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.016 HD12 'BR2 ' ' A' ' 108' ' ' WSK . 0.4 OUTLIER -65.59 -55.61 16.73 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.75 0.309 . . . . 0.0 111.677 -179.595 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' N ' HD13 ' A' ' 59' ' ' LEU . 7.6 pt-20 -76.54 -30.33 57.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.638 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -64.34 -27.16 68.83 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.237 176.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 58' ' ' GLY . 2.3 t -73.7 -40.82 54.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -52.43 -28.88 21.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.062 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.57 -30.0 67.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.605 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -84.95 -55.84 3.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mtt -47.61 -35.01 8.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -71.24 -36.39 71.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -104.81 23.82 12.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.093 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -58.55 131.68 51.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.935 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.53 151.88 45.47 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.559 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.13 66.88 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.69 27.96 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.31 22.51 5.5 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.81 -79.27 0.38 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -135.02 28.59 3.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.771 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 63.18 157.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 p -51.29 123.21 9.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.3 m -147.57 171.9 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.02 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG2' ' CE ' ' A' ' 86' ' ' MET . 4.6 mt-10 -62.08 -24.36 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.934 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 53.64 -95.38 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.22 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.619 HD12 HD11 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -95.69 -28.72 14.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.0 110.699 179.243 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.464 ' HA ' HD21 ' A' ' 29' ' ' LEU . 39.2 t -56.16 -27.71 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 79' ' ' GLU . . . -72.19 -34.78 61.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.343 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -60.0 -31.67 70.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.98 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.582 HD22 HD11 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -71.15 -48.06 54.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.745 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.417 ' CE ' ' HG2' ' A' ' 79' ' ' GLU . 9.7 mtt -55.63 -28.1 53.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.719 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -79.89 -29.9 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.706 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 84' ' ' ALA . 62.0 t -72.51 -37.93 58.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.892 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 74.2 mmm -70.87 -36.37 72.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -55.43 -26.45 42.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.794 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -60.6 -64.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -43.61 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 p -48.26 -53.47 17.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -86.22 -58.71 2.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.778 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 50.03 77.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.061 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.5 mm -76.69 -40.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -86.92 62.44 7.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.1 t -80.78 -30.67 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.3 p -52.29 -38.16 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -77.45 -28.17 52.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -100.46 73.69 1.66 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.52 146.09 5.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.42 145.09 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.024 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -108.67 93.04 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -137.61 -49.53 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -98.25 115.97 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.987 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.483 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 1.016 'BR2 ' HD12 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.56 28.82 23.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.43 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -89.9 151.58 21.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 108.98 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -100.52 114.15 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 6' ' ' VAL . 33.8 m -132.26 120.67 43.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.014 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.1 m -58.46 -54.38 47.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 58.01 112.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.778 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.064 HG23 ' H10' ' A' ' 108' ' ' WSK . 5.4 p -135.21 -117.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.487 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.6 ' N ' HG22 ' A' ' 9' ' ' VAL . . . 162.34 -29.9 0.28 Allowed Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 119.239 0.927 . . . . 0.0 111.235 -178.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.529 ' H ' HG22 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -86.8 151.39 23.4 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.916 0.388 . . . . 0.0 110.104 178.3 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.24 131.01 24.57 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.616 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.63 -22.24 16.6 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.366 2.044 . . . . 0.0 112.318 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -92.09 -81.53 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -51.0 -49.03 61.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.7 -102.69 2.89 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 62.7 m-85 -96.56 151.42 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.07 76.89 1.0 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.67 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -61.15 -26.11 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.382 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -63.83 -30.0 71.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.729 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -140.12 44.48 1.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.854 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD11 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -66.28 146.34 54.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -69.71 119.21 69.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.767 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.77 -23.63 11.81 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.385 2.057 . . . . 0.0 112.55 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -61.23 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -63.76 -26.53 68.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.172 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -33.86 60.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.388 179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.68 -31.06 46.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.534 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.4 tt -59.77 -24.12 63.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.753 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 23.0 m-85 -85.3 -59.27 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.81 -24.07 21.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HB3' HG11 ' A' ' 82' ' ' VAL . 1.7 mtt85 -88.85 -36.29 16.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.85 -23.15 42.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.07 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.89 40.89 1.78 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.63 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.731 HD12 HD21 ' A' ' 85' ' ' LEU . 28.6 mt -125.1 142.81 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.139 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.6 -177.2 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.049 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 41' ' ' THR . 1.3 tt0 -54.01 -42.58 69.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.035 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.86 -44.69 59.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.137 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.537 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -72.94 -23.09 60.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 -179.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.455 HD13 HD11 ' A' ' 22' ' ' LEU . 56.0 mt -88.36 -27.43 21.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.084 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 37' ' ' GLU . 63.2 p -83.55 -44.22 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.42 131.81 33.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.43 -52.89 9.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.049 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -31.69 56.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 6.9 m -88.27 -45.51 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.223 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.4 p -46.73 -43.14 17.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 0.0 111.51 -179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -59.1 -57.3 13.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.514 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.576 ' C ' HD12 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -55.77 -27.92 53.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.976 0.417 . . . . 0.0 110.769 -179.41 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 73.3 mt -80.26 -20.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.297 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.739 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -71.95 -30.22 65.08 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.438 -179.164 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -54.73 -21.2 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.142 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 85' ' ' LEU . 68.9 t80 -82.67 -61.33 1.91 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.326 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.5 mt -64.35 -18.26 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.696 179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.707 ' HA ' ' H9 ' ' A' ' 108' ' ' WSK . 1.1 tt0 -83.85 -36.52 23.38 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 111.185 178.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -86.27 -36.18 19.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.654 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -55.6 -19.92 11.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.37 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.72 -20.22 7.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.221 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.831 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 136.67 148.35 5.48 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.118 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.993 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.4 OUTLIER -65.34 -55.51 17.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.816 0.341 . . . . 0.0 110.745 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.897 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.8 pt-20 -66.96 -33.28 75.24 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 176.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.476 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -63.86 -27.72 69.36 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.93 176.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 58' ' ' GLY . 23.0 t -83.45 -40.4 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.568 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -52.15 -33.17 39.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.454 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -66.35 -30.12 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.622 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -84.82 -51.02 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.952 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -38.54 53.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -54.5 -36.03 63.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.025 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -148.77 63.91 1.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -83.0 -33.46 26.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.989 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 151.75 -68.62 0.32 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.391 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.411 ' HA3' ' HB2' ' A' ' 76' ' ' GLN . . . -70.74 131.71 21.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.485 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.72 114.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 139.77 -83.48 0.23 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.388 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.57 29.27 12.6 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.44 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.75 60.63 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.105 0.479 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.411 ' HB2' ' HA3' ' A' ' 71' ' ' GLY . 47.5 mm-40 -49.48 158.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.977 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.45 97.21 10.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -117.44 -61.93 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 57.35 39.12 28.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -107.42 37.6 3.74 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD21 HG13 ' A' ' 62' ' ' VAL . 46.9 tp 175.41 -34.83 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 0.0 110.446 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.491 HG11 ' HB3' ' A' ' 32' ' ' ARG . 36.9 t -80.43 -38.29 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.732 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.63 74.41 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.236 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 88' ' ' VAL . . . -57.45 -34.75 69.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 110.754 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 85' ' ' LEU . 2.6 tp -78.04 -30.31 49.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.578 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 18.4 mtt -61.99 -39.45 92.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.498 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -67.99 -43.0 79.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.709 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 84' ' ' ALA . 21.6 t -64.8 -24.01 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.038 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.4 mmt -81.36 -24.51 37.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.705 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -73.81 -32.87 63.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.683 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -50.08 57.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' HG2' HD22 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.22 -50.39 71.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.793 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.5 p -56.16 -49.6 73.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -24.47 67.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.51 ' C ' HD12 ' A' ' 96' ' ' ILE . . . -95.78 111.76 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.691 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.8 mp -119.16 -65.65 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -90.4 166.02 13.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.0 m -83.92 -32.96 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.4 p -60.83 -21.11 62.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.196 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.43 -68.69 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.873 0.368 . . . . 0.0 110.939 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -136.1 -57.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 155.03 -64.36 0.33 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.579 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 50.61 63.82 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 110.834 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -95.11 28.09 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.003 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.31 -178.62 6.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -127.22 153.67 45.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.333 -1.259 . . . . 0.0 112.497 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 1.064 ' H10' HG23 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.912 0.387 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.66 -60.01 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.536 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -52.72 159.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -143.52 89.13 2.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.021 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -64.73 127.24 30.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.067 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -150.59 -179.83 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.054 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.471 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 30.2 t -73.26 -46.42 50.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.011 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.477 ' O ' ' CG1' ' A' ' 9' ' ' VAL . 12.5 p-80 44.64 30.04 0.48 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.319 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.807 HG23 ' H10' ' A' ' 108' ' ' WSK . 7.5 p 51.06 156.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 124.338 1.024 . . . . 0.0 112.426 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.515 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -101.2 -38.3 3.35 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.949 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.41 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 1.6 t90 -70.95 129.73 39.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.053 0.454 . . . . 0.0 110.515 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 18.3 m-20 -106.33 130.53 22.82 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.504 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 53.0 Cg_exo -54.81 149.81 39.76 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.337 2.025 . . . . 0.0 112.261 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 69.72 7.81 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.933 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -123.9 -60.25 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.23 -131.89 10.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.412 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 46.2 m-85 -98.01 145.39 26.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.884 0.373 . . . . 0.0 111.062 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.654 ' C ' HD13 ' A' ' 22' ' ' LEU . 4.7 t70 -103.23 58.02 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.21 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.811 ' N ' HD13 ' A' ' 22' ' ' LEU . 28.8 m -39.89 -31.22 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.119 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -54.52 -39.51 67.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.97 0.414 . . . . 0.0 110.41 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -122.85 26.02 8.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.39 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -53.11 153.15 3.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 -179.513 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.6 118.35 71.47 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -45.18 -29.16 3.99 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.588 2.192 . . . . 0.0 112.671 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' HB2' ' CD ' ' A' ' 63' ' ' ARG . 1.9 t0 -71.82 -61.05 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.976 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD13 ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -63.78 -28.47 69.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.074 179.399 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.82 -33.69 36.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.432 . . . . 0.0 110.231 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.4 m -86.15 -30.35 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.29 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.752 HD11 HD11 ' A' ' 81' ' ' LEU . 10.1 tt -55.51 -29.79 59.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.465 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' HD1' HD12 ' A' ' 35' ' ' ILE . 18.0 m-85 -84.13 -48.35 9.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.743 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -57.43 -24.72 57.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.761 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.533 ' HB3' HG11 ' A' ' 82' ' ' VAL . 1.8 mtp85 -87.14 -25.17 24.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HB1' ' HG ' ' A' ' 85' ' ' LEU . . . -92.68 14.41 17.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.6 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.85 38.69 89.48 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.878 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.632 HD12 HD21 ' A' ' 85' ' ' LEU . 19.6 mt -125.95 147.96 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.322 . . . . 0.0 110.976 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.81 179.2 5.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.633 ' HG3' HG11 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -51.7 -40.81 60.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.82 -53.42 25.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.41 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -62.23 -30.58 71.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.408 HD21 ' CE1' ' A' ' 30' ' ' PHE . 82.2 mt -78.88 -41.35 29.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.971 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.2 p -66.77 -33.98 76.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.06 115.22 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -29.85 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -80.44 -50.09 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.427 HG22 HD11 ' A' ' 49' ' ' ILE . 2.7 m -67.46 -37.73 83.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.0 p -46.37 -59.36 3.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -38.56 82.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.239 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.627 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.9 tm? -61.1 -28.7 69.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.491 178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.427 HD11 HG22 ' A' ' 45' ' ' THR . 56.4 mt -88.49 -25.63 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.732 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.663 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -64.81 -21.19 66.73 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.233 -0.587 . . . . 0.0 110.632 -178.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -61.58 -17.37 54.76 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 85' ' ' LEU . 27.7 t80 -88.63 -60.39 1.97 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.744 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.73 HG21 ' HB2' ' A' ' 59' ' ' LEU . 3.0 mt -67.58 -17.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.869 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.679 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 2.3 tm-20 -83.16 -33.03 26.33 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.49 -28.18 20.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.323 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -63.59 -12.8 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.642 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.35 -21.94 23.36 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.996 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.945 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 142.66 148.68 5.01 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.322 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.993 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -65.82 -54.61 24.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.757 0.313 . . . . 0.0 110.837 -179.381 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.918 ' N ' HD23 ' A' ' 59' ' ' LEU . 1.5 pt-20 -65.16 -31.48 72.68 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 175.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -66.49 -27.41 67.76 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.986 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 58' ' ' GLY . 42.5 t -76.06 -37.22 33.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.401 177.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.448 ' CD ' ' HB2' ' A' ' 25' ' ' ASP . 20.4 mtm180 -53.0 -34.15 55.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.798 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.96 -24.12 66.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.533 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 66' ' ' MET . 7.5 tm-20 -84.76 -54.84 4.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.672 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.404 ' N ' ' OE1' ' A' ' 65' ' ' GLU . 40.7 mtp -49.67 -31.59 11.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -59.85 -32.65 70.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.61 83.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.971 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -63.94 -25.41 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.92 -92.67 0.12 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.575 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.38 95.82 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.9 p -119.02 56.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.76 -101.29 0.29 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.75 -55.35 31.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.615 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m 67.32 64.8 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.821 0.343 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -163.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 p -51.24 152.74 2.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 60.8 -83.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.042 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 49.85 -115.53 3.12 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.425 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.752 HD11 HD11 ' A' ' 29' ' ' LEU . 2.1 pt? -79.16 -27.51 42.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.963 0.411 . . . . 0.0 110.769 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.533 HG11 ' HB3' ' A' ' 32' ' ' ARG . 39.7 t -50.24 -50.07 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.981 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -55.96 -28.9 54.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.295 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.48 -30.04 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.903 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.85 HD12 HG12 ' A' ' 88' ' ' VAL . 1.1 tp -68.88 -44.9 72.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 14.0 mtt -51.09 -24.1 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -75.73 -39.73 56.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.85 HG12 HD12 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -63.18 -27.96 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.914 0.388 . . . . 0.0 110.864 -179.429 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.441 ' SD ' HG13 ' A' ' 88' ' ' VAL . 46.9 mmm -80.35 -35.56 35.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.621 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -57.31 -27.09 61.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.423 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -67.24 -49.41 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.683 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -82.19 -23.49 35.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 t -48.12 -34.59 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.21 -66.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 48.85 28.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.164 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.6 mm -83.85 -39.86 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -118.86 99.91 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.018 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.0 m -85.24 -28.48 25.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.84 -25.83 32.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -116.93 67.35 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.51 82.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.07 36.92 13.57 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.407 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -150.98 173.32 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -133.26 118.19 18.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -84.2 -67.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.065 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.58 153.63 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.436 -1.202 . . . . 0.0 112.502 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 0.993 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.895 0.379 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.89 -86.33 0.15 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.348 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -120.87 87.03 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.02 168.86 18.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -116.72 107.34 14.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 8' ' ' HIS . 3.6 m -142.04 154.88 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -56.57 -21.82 29.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' HB2' HG23 ' A' ' 6' ' ' VAL . 2.0 m170 -46.58 106.06 0.08 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.0 0.429 . . . . 0.0 111.425 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.836 HG13 ' H10' ' A' ' 108' ' ' WSK . 24.5 t 57.21 159.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.456 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' N ' HG12 ' A' ' 9' ' ' VAL . . . -111.36 -31.77 2.73 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 54.0 t90 -65.78 104.76 1.12 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 121.18 0.514 . . . . 0.0 110.173 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.7 116.47 66.5 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.721 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -51.54 153.62 10.31 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.306 2.004 . . . . 0.0 112.329 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.17 0.96 3.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.771 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -128.62 -62.44 1.02 Allowed 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.855 0.359 . . . . 0.0 110.738 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.39 -137.52 14.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.474 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CZ ' 'BR2 ' ' A' ' 108' ' ' WSK . 55.4 m-85 -77.55 176.21 9.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.79 0.328 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.47 55.61 0.86 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.87 HG12 HD13 ' A' ' 22' ' ' LEU . 22.0 m -47.56 -30.11 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.43 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -27.67 42.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.502 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -137.74 10.57 2.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.422 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -68.97 153.43 43.82 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.05 0.452 . . . . 0.0 111.418 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.45 144.93 87.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -72.46 -37.45 4.25 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.657 2.238 . . . . 0.0 112.22 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.91 -47.16 86.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.883 ' O ' HD13 ' A' ' 26' ' ' LEU . 2.9 tm? -71.69 -30.91 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.561 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HG3' HD21 ' A' ' 22' ' ' LEU . 1.5 ttt180 -58.1 -37.66 74.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.588 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -32.34 65.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 29' ' ' LEU . 2.8 tt -53.88 -25.05 18.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.793 179.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CD1' HD12 ' A' ' 35' ' ' ILE . 26.9 m-85 -87.93 -54.69 4.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.803 179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 t -51.38 -25.57 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.518 ' CB ' HG11 ' A' ' 82' ' ' VAL . 72.8 mtt180 -86.38 -38.79 17.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.58 -23.18 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.104 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.29 -20.0 10.6 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.674 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.712 HD11 HD22 ' A' ' 85' ' ' LEU . 22.0 mt -67.7 138.22 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 111.185 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.1 p -123.44 178.05 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.13 -35.84 27.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.21 75.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.604 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -77.39 -22.58 51.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD22 ' CE2' ' A' ' 17' ' ' PHE . 19.8 mt -88.08 -31.8 19.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.111 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 p -72.66 -35.31 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -71.98 113.11 8.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.68 96.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.995 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -55.63 -37.25 67.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.553 HG22 HD11 ' A' ' 49' ' ' ILE . 4.9 m -81.25 -37.69 28.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.003 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -54.95 -39.13 68.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.02 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -51.83 67.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.344 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.549 HD23 ' HA ' ' A' ' 45' ' ' THR . 1.0 OUTLIER -66.22 -22.82 66.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.692 0.282 . . . . 0.0 111.013 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.553 HD11 HG22 ' A' ' 45' ' ' THR . 64.2 mt -88.15 -31.19 5.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.591 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.696 ' CA ' ' H1 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -64.71 -20.96 66.63 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.431 -0.508 . . . . 0.0 111.08 -178.113 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.16 -17.68 58.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' CD1' ' HG ' ' A' ' 85' ' ' LEU . 85.1 t80 -85.93 -61.13 1.82 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.477 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.517 HG21 ' HB2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -66.33 -18.45 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.772 179.185 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.619 ' CA ' ' H2 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -83.61 -31.56 26.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.814 0.34 . . . . 0.0 111.147 178.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -43.21 18.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.91 -178.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -55.5 -20.21 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.688 0.28 . . . . 0.0 111.318 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 122.82 -28.78 5.58 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.869 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.892 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 152.97 152.62 6.05 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.586 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.943 HD22 'BR1 ' ' A' ' 108' ' ' WSK . 0.3 OUTLIER -64.06 -55.11 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.723 0.297 . . . . 0.0 110.947 -179.145 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.894 ' N ' HD23 ' A' ' 59' ' ' LEU . 7.4 pt-20 -72.56 -29.09 63.25 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 176.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.511 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -66.85 -27.32 67.44 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.006 176.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.892 HG23 ' O ' ' A' ' 58' ' ' GLY . 11.0 t -71.12 -39.42 73.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.307 177.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -51.24 -31.5 21.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.812 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -72.0 -31.59 66.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.399 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.99 -47.7 9.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.994 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.51 -33.69 15.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.986 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -39.51 86.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.82 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 69' ' ' GLN . 1.3 mtm-85 -83.87 -44.02 14.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 68' ' ' ARG . 12.7 pt20 46.78 -170.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.33 -149.74 19.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.477 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.52 42.92 0.93 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.595 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -104.56 88.11 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -113.18 -51.13 0.52 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.26 -80.7 0.26 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.474 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.0 m -146.86 41.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.37 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -128.98 152.94 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 t -148.36 157.32 43.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.018 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 51.98 -173.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 51.53 24.24 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.77 -76.9 1.22 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.392 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.45 -35.67 68.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 110.627 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.518 HG11 ' CB ' ' A' ' 32' ' ' ARG . 46.6 t -76.17 -43.22 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.27 -26.48 63.95 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.266 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.87 -33.11 74.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.851 0.358 . . . . 0.0 110.975 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.712 HD22 HD11 ' A' ' 35' ' ' ILE . 0.8 OUTLIER -74.35 -26.29 60.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.737 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.0 mtt -61.97 -39.09 90.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -68.62 -40.47 80.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.5 t -68.25 -20.82 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -28.5 55.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 0.0 110.525 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -58.69 -26.44 63.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.621 179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -52.67 -40.73 63.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.857 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -75.63 -44.7 41.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.9 m -52.01 -53.67 39.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.58 -59.75 2.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 58.07 111.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.692 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.7 mp -110.74 -65.37 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.99 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -93.84 90.37 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.9 -32.31 34.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.0 t -68.69 -24.0 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.01 37.4 2.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -76.96 65.17 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -161.81 172.09 37.9 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.89 -81.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -100.43 -173.14 2.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -111.01 59.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.005 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.88 116.06 6.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.32 -1.266 . . . . 0.0 112.475 -179.898 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 0.943 'BR1 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.728 0.299 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.71 59.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.413 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -75.44 115.02 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -118.57 171.84 7.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.994 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -114.04 107.47 15.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 6' ' ' VAL . 34.2 m -129.03 106.74 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.3 m -50.96 -41.5 59.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 179.47 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.229 0.538 . . . . 0.0 111.259 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.032 HG13 ' H10' ' A' ' 108' ' ' WSK . 45.5 t -72.81 148.48 9.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.064 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.7 -32.52 8.01 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.745 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.436 ' H ' HG12 ' A' ' 9' ' ' VAL . 6.6 t90 -79.15 136.05 37.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.98 0.419 . . . . 0.0 110.385 178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -121.64 135.18 24.94 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.911 -179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 22.8 Cg_exo -63.3 71.22 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.378 2.052 . . . . 0.0 112.06 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -174.05 -76.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.953 -179.599 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.8 -49.06 67.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.4 -118.35 4.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.572 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 4.6 m-85 -88.19 158.21 18.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.953 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.541 ' C ' HD13 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -109.4 39.8 2.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.423 179.015 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.75 HG23 HD22 ' A' ' 22' ' ' LEU . 11.7 p -45.55 -29.75 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.405 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -54.84 -48.13 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.011 0.434 . . . . 0.0 110.072 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -112.85 27.54 9.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.228 178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 19' ' ' VAL . 1.5 tp -52.83 136.82 33.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.077 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.58 142.14 85.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.7 -48.56 21.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.481 2.12 . . . . 0.0 112.206 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' CB ' ' HG3' ' A' ' 63' ' ' ARG . 0.2 OUTLIER -58.09 -57.69 11.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.023 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.717 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -62.35 -27.77 69.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HG3' ' HB3' ' A' ' 22' ' ' LEU . 3.9 mtp180 -64.68 -31.99 73.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.627 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.4 p -80.98 -31.94 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.465 HD11 ' HG ' ' A' ' 81' ' ' LEU . 5.4 tp -58.03 -23.1 52.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.781 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CE2' HD12 ' A' ' 26' ' ' LEU . 21.2 m-85 -84.76 -63.85 1.26 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.926 179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.6 p -50.11 -25.7 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.733 ' CB ' HG21 ' A' ' 82' ' ' VAL . 61.3 mtt180 -84.59 -26.64 27.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.826 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.848 ' HB2' HG23 ' A' ' 82' ' ' VAL . . . -90.78 -22.54 20.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.6 -22.65 9.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.76 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.802 HD11 HD11 ' A' ' 85' ' ' LEU . 29.3 mt -66.2 152.15 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.162 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.6 -179.68 5.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.733 ' HG3' HG21 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -55.91 -34.92 66.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.56 -38.31 69.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.446 ' CB ' HG23 ' A' ' 35' ' ' ILE . 5.8 mp0 -76.54 -35.35 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.996 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.526 HD13 HD21 ' A' ' 22' ' ' LEU . 21.5 mt -71.99 -45.45 60.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 37' ' ' GLU . 81.3 p -59.92 -32.15 70.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.13 99.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.813 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.69 -27.84 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.293 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.424 ' O ' HD13 ' A' ' 48' ' ' LEU . 48.7 mt-10 -77.96 -60.37 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.822 ' HA ' HD22 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -53.46 -25.7 17.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 50' ' ' TYR . 0.7 OUTLIER -55.94 -39.06 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.265 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 -27.0 61.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.143 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.822 HD22 ' HA ' ' A' ' 45' ' ' THR . 2.8 mp -70.25 -40.24 74.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.511 0.672 . . . . 0.0 109.384 177.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.5 mt -88.78 -21.08 7.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.1 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.66 ' CA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -64.29 -24.8 67.79 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.104 -0.639 . . . . 0.0 110.468 -178.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -58.51 -19.71 39.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 85' ' ' LEU . 87.7 t80 -89.39 -57.66 2.8 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.793 -179.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.713 HG21 ' HB2' ' A' ' 59' ' ' LEU . 2.8 mt -71.02 -18.87 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.687 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 1.6 tm-20 -83.79 -36.13 23.79 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.832 0.348 . . . . 0.0 110.828 178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -89.43 -34.77 16.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.203 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -55.98 -19.67 13.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.315 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.92 -23.96 7.22 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.058 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.849 ' O ' HG23 ' A' ' 62' ' ' VAL . . . 141.21 149.44 5.24 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.283 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.964 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 0.4 OUTLIER -62.54 -55.47 27.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.785 0.326 . . . . 0.0 110.921 -179.418 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.863 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.7 pt-20 -74.17 -32.47 63.1 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.561 ' HB3' ' CA ' ' A' ' 58' ' ' GLY . . . -61.75 -26.35 68.02 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.537 -1.211 . . . . 0.0 109.997 176.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 58' ' ' GLY . 5.2 t -73.6 -40.46 54.9 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 176.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 25' ' ' ASP . 7.4 mtp180 -53.25 -30.63 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.975 178.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -70.34 -36.67 74.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.736 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.2 -45.41 12.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.52 ' HG2' HD23 ' A' ' 81' ' ' LEU . 2.6 mmm -51.19 -29.78 15.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.805 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -46.81 75.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -36.11 82.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.814 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.48 -173.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.991 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.62 138.52 14.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.445 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -158.5 -77.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.562 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.6 t -53.35 119.51 4.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.02 -88.0 0.49 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.571 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -165.41 119.03 0.84 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.433 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.0 p -100.06 71.98 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -65.62 107.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.89 146.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 p -66.87 -47.99 70.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.422 ' HB2' ' HE3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -72.69 90.29 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.139 -179.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -103.17 -79.27 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.962 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.531 HD21 HG13 ' A' ' 62' ' ' VAL . 4.3 tp -53.59 -41.85 67.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.911 0.386 . . . . 0.0 110.096 178.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.848 HG23 ' HB2' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -80.17 -39.21 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.075 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.445 ' HA2' ' CE ' ' A' ' 86' ' ' MET . . . -55.63 -25.69 43.85 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.323 -0.941 . . . . 0.0 111.298 177.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.66 -32.87 60.34 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 121.017 0.437 . . . . 0.0 110.443 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.802 HD11 HD11 ' A' ' 35' ' ' ILE . 1.8 tp -64.36 -34.85 79.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.18 178.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.445 ' CE ' ' HA2' ' A' ' 83' ' ' GLY . 48.8 mtt -52.04 -39.79 60.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.483 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -59.52 -61.44 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.724 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 76.4 t -51.18 -25.39 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.166 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.1 mmt -80.19 -33.83 37.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.815 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 94' ' ' ARG . 6.3 mm100 -62.92 -28.96 70.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -47.65 84.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.111 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.9 mmt180 -72.66 -54.96 7.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 p -50.26 -31.51 14.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.44 ' C ' HD12 ' A' ' 96' ' ' ILE . 6.6 tpt180 -84.54 -10.25 57.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.77 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.9 -9.41 46.33 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.706 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.5 mp 43.66 63.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 111.373 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 54.07 104.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.0 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 83.5 p -66.22 -29.57 69.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.985 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -44.97 78.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.4 t70 57.24 31.03 19.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -50.42 -57.36 8.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.42 -65.13 3.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.416 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -158.62 149.56 20.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -78.64 116.41 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.85 88.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -114.8 104.82 12.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.589 -179.835 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 1.032 ' H10' HG13 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.833 0.349 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.54 -96.62 0.41 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -72.98 116.82 13.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.91 147.53 40.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.985 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -56.89 143.84 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.7 m -131.03 147.94 33.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.8 m -83.23 -6.4 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.883 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.411 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 5.6 t60 -87.45 8.8 23.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.521 0.2 . . . . 0.0 111.517 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.837 HG23 ' H10' ' A' ' 108' ' ' WSK . 7.1 p 178.87 159.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.128 0.49 . . . . 0.0 111.548 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.525 ' N ' HG22 ' A' ' 9' ' ' VAL . . . -104.21 -43.36 1.76 Allowed Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CE2' ' O ' ' A' ' 13' ' ' PRO . 48.8 t90 -71.16 115.93 10.88 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 173.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.6 p-10 -157.34 78.97 3.59 Favored Pre-proline 0 N--CA 1.466 0.362 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -174.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' O ' ' CE2' ' A' ' 11' ' ' TRP . 70.9 Cg_endo -107.05 -88.86 0.0 OUTLIER 'Cis proline' 0 N--CA 1.44 -1.674 0 C-N-CA 125.698 -0.542 . . . . 0.0 110.835 -7.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -68.86 -7.09 31.37 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.63 -31.04 1.03 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.342 0.591 . . . . 0.0 109.928 178.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.22 162.63 14.41 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.822 175.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CZ ' 'BR1 ' ' A' ' 108' ' ' WSK . 50.5 m-85 -52.59 -178.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.925 -0.637 . . . . 0.0 111.188 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.74 47.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.276 178.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.406 HG11 ' HG3' ' A' ' 37' ' ' GLU . 27.2 m -40.81 -38.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.834 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -54.79 -32.57 60.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.777 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.66 29.23 5.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.84 126.45 27.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.992 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 1.5 t0 -67.17 143.45 97.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 52.1 Cg_exo -54.9 -49.19 17.5 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.5 2.133 . . . . 0.0 112.288 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.472 ' CB ' ' CG ' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -51.05 -61.35 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.952 -179.757 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.591 ' O ' HD13 ' A' ' 26' ' ' LEU . 1.7 tm? -57.26 -43.57 83.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.617 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -51.88 -27.75 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -86.17 -26.58 25.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.568 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.908 HD12 HG22 ' A' ' 82' ' ' VAL . 8.5 tp -65.35 -22.95 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.755 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.74 ' CD1' HD12 ' A' ' 35' ' ' ILE . 8.3 m-85 -86.16 -59.65 2.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.839 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.61 -31.46 16.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.7 ' HB3' HG11 ' A' ' 82' ' ' VAL . 67.9 mtt-85 -75.05 -24.49 58.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.43 -23.28 16.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.235 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.85 46.21 1.52 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.59 -0.815 . . . . 0.0 112.763 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.74 HD12 ' CD1' ' A' ' 30' ' ' PHE . 17.0 mt -125.67 155.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.941 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 35' ' ' ILE . 18.0 p -135.53 -178.66 5.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.275 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.631 ' O ' HG23 ' A' ' 41' ' ' THR . 1.5 tt0 -55.82 -46.17 78.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.051 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.54 -42.79 34.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.442 ' CB ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -67.61 -32.29 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.542 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.529 HD22 ' CD2' ' A' ' 17' ' ' PHE . 17.0 mt -82.53 -24.88 33.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.054 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 37' ' ' GLU . 70.9 p -79.39 -36.32 39.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.962 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.57 137.85 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -41.34 22.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.358 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -38.83 75.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.062 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.574 ' HA ' HD23 ' A' ' 48' ' ' LEU . 24.8 m -73.24 -45.78 53.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.071 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.7 m -48.52 -26.61 2.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.225 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -56.45 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.078 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.574 HD23 ' HA ' ' A' ' 45' ' ' THR . 1.6 pp -59.44 -32.08 69.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.404 HD11 HG22 ' A' ' 45' ' ' THR . 48.3 mt -74.75 -37.04 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.61 ' HA ' ' H5 ' ' A' ' 108' ' ' WSK . 0.0 OUTLIER -63.54 -20.61 65.77 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.228 -177.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -59.59 -19.81 51.44 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.627 174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CG ' ' OE1' ' A' ' 56' ' ' GLN . 12.3 t80 -89.87 -61.2 1.74 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.073 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 59' ' ' LEU . 0.5 OUTLIER -67.71 -19.48 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.053 -178.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.674 ' CA ' ' H4 ' ' A' ' 108' ' ' WSK . 1.1 tm-20 -84.47 -28.8 26.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 111.041 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -90.06 -45.86 8.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.837 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 3.3 mp0 -55.19 -20.87 11.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.711 0.291 . . . . 0.0 111.315 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 132.13 -32.62 2.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.208 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.796 ' HA3' ' HB3' ' A' ' 61' ' ' ALA . . . 150.77 160.5 9.41 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.833 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.911 HD22 'BR2 ' ' A' ' 108' ' ' WSK . 0.8 OUTLIER -63.94 -55.19 24.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.965 0.412 . . . . 0.0 110.643 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.648 ' N ' HD23 ' A' ' 59' ' ' LEU . 25.3 pt-20 -82.08 -34.29 29.43 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.796 ' HB3' ' HA3' ' A' ' 58' ' ' GLY . . . -57.91 -26.88 62.76 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.014 176.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 58' ' ' GLY . 1.7 t -72.07 -41.07 67.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CG ' ' CB ' ' A' ' 25' ' ' ASP . 0.5 OUTLIER -52.92 -34.99 57.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.097 178.467 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -65.65 -33.3 75.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.365 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -39.45 18.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.744 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -34.36 40.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -69.75 -37.9 76.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.749 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -117.8 47.57 1.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -49.57 -34.67 18.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.16 87.88 1.89 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.44 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -154.53 109.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.48 40.17 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.787 0.327 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -147.58 46.68 0.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.53 121.15 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.493 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 p -171.89 101.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.729 0.3 . . . . 0.0 111.015 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -105.35 52.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -174.8 157.71 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -62.07 -85.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.031 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.32 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.225 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.72 -81.78 0.33 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.696 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.612 HD12 HD21 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -89.83 -16.84 29.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.598 0.237 . . . . 0.0 111.301 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.908 HG22 HD12 ' A' ' 29' ' ' LEU . 45.2 t -56.95 -37.2 53.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.808 0.337 . . . . 0.0 110.994 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.11 -33.31 78.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.668 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.73 -35.26 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.183 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.619 HD22 HD11 ' A' ' 35' ' ' ILE . 0.6 OUTLIER -70.7 -44.63 66.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.742 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.6 mtt -45.39 -56.29 5.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.23 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -51.31 -61.49 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.39 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.0 t -47.32 -26.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.818 -178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 77.8 mmm -82.43 -23.72 34.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.719 0.295 . . . . 0.0 111.044 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -67.65 -24.79 65.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.838 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.6 -31.77 72.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.498 ' NH2' ' CE1' ' A' ' 97' ' ' HIS . 15.3 tpt180 -74.8 -42.02 58.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.077 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.0 -24.25 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -26.67 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.979 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.78 153.97 9.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.237 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.658 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.1 mp -113.21 -51.34 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.498 ' CE1' ' NH2' ' A' ' 92' ' ' ARG . 7.2 m170 55.31 69.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 m -80.09 -25.64 39.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.828 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.4 p -60.36 -49.83 76.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.86 25.26 11.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.71 85.68 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.85 -154.36 3.24 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.455 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -99.79 -43.05 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 0.0 111.007 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 55.27 43.32 29.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -81.79 146.24 30.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -145.4 133.46 21.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.027 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.463 -1.187 . . . . 0.0 112.53 -179.929 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' WSK . . . . . 0.911 'BR2 ' HD22 ' A' ' 59' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_